SCHEMBL2581738

SCHEMBL2581738

C#Cc1cccnc1C#N.C1CC2CC2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
GRM5 P41594 2/20 0.33
GRM1 Q13255 2/20 0.33
PLCG1 P19174 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP11B1 P15538 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL167824 0.84 PLCG1 (0.41) ELANEKDM4ERECQLGSK3AGSK3B
SCHEMBL30320148 0.84 PLCG1 (0.41) ELANEKDM4ERECQLGSK3AGSK3B
Cyclohexane SCHEMBL507539 0.73 GRM5 (0.43) ELANEKDM4ERECQLGRM5PLCG1
SCHEMBL18611 0.71 LRRK2 (0.46) ELANEKDM4EPLCG1CYP11B1
SCHEMBL981103 0.71 GRM5 (0.50) KDM4EGRM5PLCG1
SCHEMBL29533314 0.71 LRRK2 (0.46) ELANEKDM4EPLCG1CYP11B1
SCHEMBL12754871 0.70 GRM5 (0.46) ELANEKDM4ERECQLGRM5PLCG1
SCHEMBL27956054 0.68 FEN1 (0.45) ELANEGSK3AGSK3BPLCG1ALOX5AP
SCHEMBL3248902 0.67 PLCG1 (0.41) ELANEKDM4ERECQLPLCG1CYP11B1
SCHEMBL24057981 0.65 MAOA (0.39) ELANEGSK3AGSK3BPLCG1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 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 (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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A ELANE 4842/4885KDM4E 1098/4885RECQL 1352/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ELANE 4842/4885KDM4E 1098/4885RECQL 1352/4885

“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.