SCHEMBL455964

SCHEMBL455964

[CH2]CSc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MGAM O43451 1/20 0.43
RAB9A P51151 2/20 0.41
CYP2A6 P11509 1/20 0.41
HPGD P15428 2/20 0.40
BIRC5 O15392 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A4 P31645 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8569257 0.81 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL271505 0.79 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL8094448 0.78 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL5215555 0.77 ALDH1A1 (0.46) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL16836313 0.76 TLR8 (0.56) CYP1A2PDGFRBPDGFRAALDH1A1RAB9A
SCHEMBL24593163 0.75 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL271506 0.75 CYP1A2 (0.59) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL18814830 0.75 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL29105728 0.73 HPGD (0.56) CYP1A2PDGFRBPDGFRAALDH1A1MGAM
SCHEMBL3820110 0.73 CYP1A2 (0.52) CYP1A2PDGFRBPDGFRAALDH1A1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE ABBVIE INC. 2015-11-05 US disclosed
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
US-8853241-B2 Biaryl substituted azabicyclic alkane derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8802693-B1 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2014-08-12 US disclosed
US-20130317055-A1 NEURONAL NICOTINIC AGONIST AND METHODS OF USE ABBVIE INC. (US) 2013-11-28 US disclosed
WO-2013177494-A1 AGONISTS OF NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR A7 SUBTYPE FOR USE IN THE TREATMENT OF COGNITIVE SYMPTOMS OF SCHIZOPHRENIA ABBVIE INC. (US) 2013-11-28 WO disclosed
WO-2013177498-A1 AGONISTS OF NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR A7 SUBTYPE FOR USE IN THE TREATMENT OF COGNITIVE SYMPTOMS OF SCHIZOPHRENIA ABBVIE INC. (US) 2013-11-28 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-03-07 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 US disclosed
EP-1124804-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
WO-2000024719-A1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 2000-05-04 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 (7 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-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 CYP1A2 1588/4885PDGFRB 453/4885PDGFRA 343/4885
US-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 CYP1A2 1723/4885PDGFRB 4795/4885PDGFRA 4440/4885
US-20020028938-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885PDGFRB 842/4885PDGFRA 1156/4885
US-20130317055-A1 NEURONAL NICOTINIC AGONIST AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 CYP1A2 1790/4885PDGFRB 3727/4885PDGFRA 2823/4885
US-20150313891-A1 NEURONAL NICOTINIC AGONISTS AND METHODS OF USE CHRNA7, CHRNA2, CHRNA5 CYP1A2 1797/4885PDGFRB 3806/4885PDGFRA 2940/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 CYP1A2 30/4885PDGFRB 1402/4885PDGFRA 715/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 CYP1A2 23/4885PDGFRB 842/4885PDGFRA 1156/4885

“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.