SCHEMBL3416558

SCHEMBL3416558

CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.49
SLC6A12 P48065 1/20 0.49
SLC6A11 P48066 1/20 0.49
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B3 P37058 1/20 0.39
NR3C1 P04150 3/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
AKR1C1 Q04828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4443505 1.00 SLC6A1 (0.49) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
SCHEMBL7604766 1.00 SLC6A1 (0.49) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
SCHEMBL11254143 0.84 LMNA (0.42) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
SCHEMBL11254947 0.81 L3MBTL1 (0.47) SLC6A1SLC6A12SLC6A11POLBALDH1A1
Lactic Acid SCHEMBL28394187 0.79 MAPT (0.36) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
Lactic Acid SCHEMBL28384632 0.79 MAPT (0.36) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
Lactic Acid SCHEMBL28384633 0.79 MAPT (0.36) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
SCHEMBL4668723 0.77 NR3C1 (0.43) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
SCHEMBL4443441 0.77 NR3C1 (0.43) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B
SCHEMBL4669632 0.77 NR3C1 (0.43) SLC6A1SLC6A12SLC6A11PLA2G1BATG4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4536265-B2 2010-09-01 JP claimed
EP-1177166-B1 PROCESS FOR PREPARING (1R,2S,4R) -(-)-2- (2'- N,N-DIMETHYLAMINO -ETHOXY) -2- PHENYL -1,7,7-TRI- METHYL -BICYCLO 2.2.1 HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2008-02-20 EP claimed
EP-1177167-B1 HIGH PURITY (1R, 2S, 4R)-(-)-2-[(2'-(N,N-DIMETHYLAMINO)-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM. EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-10-22 EP claimed
EP-1052243-B1 Process for preparing (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-07-30 EP claimed
JP-2002544185-A 2002-12-24 JP claimed
US-20020040164-A1 High purity (1R, 2S, 4R) -(-) -2- [ (2' -{N,N-dimethylamino} -ethoxy) ] -2- [phenyl] -1, 7,7 -tri - [methyl] -bicyclo [2.2.1] heptane and pharmaceutically acceptable acid addition salts thereof and a process for the preparation of these compounds as well as medicaments containing 1 or more of these compounds and their use EGIS GYOGYSZERGYAR RT (HU) 2002-04-04 US claimed
EP-1177167-A2 HIGH PURITY (1R, 2S, 4R)-(-)-2-[(2'-(N,N-DIMETHYLAMINO)-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM. EGIS GYOGYSZERGYAR RT. (HU) 2002-02-06 EP claimed
US-6335469-B1 COMPOUND CONTAINING NOT MORE THAN 0.2% OF (1R,3S,4R)-3-((2'-(N,N-DIMETHYLAMINO)-ETHYL))-1,7,7-TRIMETHYL -BICYCLO(2.2.1)HEPTANE-2-ONE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF ORION CORPORATION (FI) 2002-01-01 US claimed
US-6242386-B1 DRUGS FORMED BY HYDROLYSIS OF CAMPHOR IN THE PRESENCE OF METALLORGANIC COMPOUNDS AND BASIC SALTS EGIS Gyógyszergyár Rt. (HU) 2001-06-05 US claimed
WO-2000068183-A2 HIGH PURITY (1R,2S,4R)-(-)-2-[(2'-{N,N-DIMETHYLAMINO}-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM EGIS Gyógyszergyár Rt. (HU) 2000-11-16 WO claimed
EP-1052245-A2 High purity (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof, process for the preparation of these compounds and medicaments containing them EGIS GYOGYSZERGYAR RT. (HU) 2000-11-15 EP claimed
EP-1052243-A2 Process for preparing (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof EGIS GYOGYSZERGYAR RT. (HU) 2000-11-15 EP claimed
WO-2000050379-A1 PROCESS FOR THE PREPARATION OF (1R, 2S, 4R) -(-) -2 - (2 -DIMETHYLAMINOETHOXY) -2 -PHENYL -1,7,7 - TRIMETHYLBICYCLO [2.2.1] HEPTANE EGIS GYOGYSZERGYAR RT. (HU) 2000-08-31 WO claimed
EP-1177166-B1 PROCESS FOR PREPARING (1R,2S,4R) -(-)-2- (2'- N,N-DIMETHYLAMINO -ETHOXY) -2- PHENYL -1,7,7-TRI- METHYL -BICYCLO 2.2.1 HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2008-02-20 EP disclosed
EP-1177167-B1 HIGH PURITY (1R, 2S, 4R)-(-)-2-[(2'-(N,N-DIMETHYLAMINO)-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM. EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-10-22 EP disclosed
US-6624201-B2 For use in anxiolytic agents ORION CORPORATION (FI) 2003-09-23 US disclosed
WO-2000068181-A2 PROCESS FOR PREPARING (1R,2S,4R) -(-)-2-[(2'- {N,N-DIMETHYLAMINO} -ETHOXY)] -2-[PHENYL] -1,7,7-TRI- [METHYL] -BICYCLO [2.2.1] HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF EGIS Gyógyszergyár Rt. (HU) 2000-11-16 WO disclosed
EP-1052245-A2 High purity (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof, process for the preparation of these compounds and medicaments containing them EGIS GYOGYSZERGYAR RT. (HU) 2000-11-15 EP disclosed
EP-1052243-A2 Process for preparing (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof EGIS GYOGYSZERGYAR RT. (HU) 2000-11-15 EP disclosed
WO-2000050379-A1 PROCESS FOR THE PREPARATION OF (1R, 2S, 4R) -(-) -2 - (2 -DIMETHYLAMINOETHOXY) -2 -PHENYL -1,7,7 - TRIMETHYLBICYCLO [2.2.1] HEPTANE EGIS GYOGYSZERGYAR RT. (HU) 2000-08-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020040164-A1 High purity (1R, 2S, 4R) -(-) -2- [ (2' -{N,N-dimethylamino} -ethoxy) ] -2- [phenyl] -1, 7,7 -tri - [methyl] -bicyclo [2.2.1] heptane and pharmaceutically acceptable acid addition salts thereof and a process for the preparation of these compounds as well as medicaments containing 1 or more of these compounds and their use SLC7A1, ABCB11, PKD1 SLC6A1 202/4885SLC6A12 953/4885SLC6A11 317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.