SCHEMBL3963559

SCHEMBL3963559

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(/C=C/CCCNC(=O)C3CCCC3)c2CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ESR2 Q92731 1/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
GPR119 Q8TDV5 5/20 0.37
NAMPT P43490 1/20 0.37
THRB P10828 1/20 0.36
EPHX2 P34913 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
SCHEMBL3963560 1.00 STS (0.42) STSNPC1RAB9AKEAP1NFE2L2
SCHEMBL14091685 1.00 STS (0.42) STSNPC1RAB9AKEAP1NFE2L2
SCHEMBL14601596 0.88 NAMPT (0.40) NPC1RAB9ANAMPTEPHX2
SCHEMBL3970338 0.86 NAMPT (0.38) ESR2NAMPT
SCHEMBL3970340 0.86 NAMPT (0.38) ESR2NAMPT
SCHEMBL14091686 0.86 NAMPT (0.38) ESR2NAMPT
SCHEMBL3965006 0.83 NPC1 (0.42) STSNPC1RAB9AKEAP1NFE2L2
SCHEMBL13768681 0.79 NAMPT (0.38) NPC1RAB9ANAMPTEPHX2
SCHEMBL3961017 0.79 NAMPT (0.38) NPC1RAB9ANAMPTEPHX2
SCHEMBL3961020 0.79 NAMPT (0.38) NPC1RAB9ANAMPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US 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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A STS 3326/4885NPC1 1810/4885RAB9A 1540/4885

“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.