SCHEMBL10345923

SCHEMBL10345923

CC(C)NC(Oc1ccccc1)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB3 P13945 1/20 0.41
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNB4 P30926 2/20 0.37

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
SCHEMBL21775493 0.83 KMT2A (0.41) LMNAADRB2ADRB1ADRB3MEN1
SCHEMBL11130584 0.83 LMNA (0.52) LMNAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL20553516 0.82 LMNA (0.42) LMNAMTNR1AMTNR1BADRB2ADRB1
SCHEMBL20552868 0.81 PPARG (0.43) LMNAADRB2ADRB1CYP2D6ADRB3
SCHEMBL21775503 0.81 MTNR1B (0.49) MTNR1AMTNR1BALDH1A1KDM4ECHRNB4
SCHEMBL11513409 0.81 ADRB2 (0.48) LMNAADRB2ADRB1ADRB3MEN1
SCHEMBL2585659 0.79 PPARG (0.39) LMNAADRB2ADRB1CYP2D6ADRB3
SCHEMBL9628819 0.79 PTGS2 (0.44) LMNAADRB3CYP1A2CYP2C9CYP2C19
SCHEMBL11201885 0.77 CASR (0.43) LMNAMTNR1AMTNR1BADRB2ADRB1
SCHEMBL11019566 0.77 KMT2A (0.49) LMNAMTNR1AMTNR1BCYP2D6MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 WO disclosed
EP-0193227-B1 PROCESS FOR THE PREPARATION OF ARYLGLYCIDYL ETHERS AND 3-SUBSTITUTED 1-ALKYLAMINO-2-PROPANOLS GIST-BROCADES N.V. (NL) 1990-04-11 EP disclosed
EP-0193227-A1 Process for the preparation of arylglycidyl ethers and 3-substituted 1-alkylamino-2-propanols GIST-BROCADES N.V. (NL) 1986-09-03 EP disclosed
EP-0013258-B1 PROPENYL-SUBSTITUTED PHENOLGLYCIDYL ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1982-07-07 EP 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 (2 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 LMNA 1421/4885MTNR1A 178/4885MTNR1B 139/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A LMNA 2085/4885MTNR1A 99/4885MTNR1B 95/4885

“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.