SCHEMBL3967503

SCHEMBL3967503

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(CCc3nccs3)c2CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
POLB P06746 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
NR1H2 P55055 1/20 0.39
HCRTR2 O43614 1/20 0.37
GRM5 P41594 2/20 0.37
DTYMK P23919 1/20 0.37
CNR1 P21554 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA1 P30542 1/20 0.36
ACACB O00763 1/20 0.36
P2RX3 P56373 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL4793976 0.82 ESR2 (0.42) ESR2POLBGPR119NR1H2GRM5
SCHEMBL12296159 0.81 GPR119 (0.47) ESR2POLBGPR119NR1H2GRM5
SCHEMBL2254528 0.79 ESR2 (0.51) ESR2POLBGPR119NR1H2ACACB
SCHEMBL2256587 0.79 ESR2 (0.51) ESR2POLBGPR119NR1H2ACACB
SCHEMBL2255061 0.78 ESR2 (0.50) ESR2POLBGPR119NR1H2ACACB
SCHEMBL2254913 0.78 ESR2 (0.50) ESR2POLBGPR119NR1H2ADORA1
SCHEMBL2253554 0.78 ESR2 (0.50) ESR2POLBGPR119NR1H2ACACB
SCHEMBL507391 0.78 ESR2 (0.42) ESR2POLBGPR119NR1H2GRM5
SCHEMBL4793970 0.77 ESR2 (0.41) ESR2POLBGPR119NR1H2P2RX3
SCHEMBL2253969 0.76 ESR2 (0.41) ESR2POLBGPR119NR1H2MEN1

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
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
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
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
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
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
WO-2007028131-A1 6-SUBSTITUTED 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 (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 ESR2 150/4885POLB 4627/4885GPR119 42/4885

“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.