SCHEMBL3961292

SCHEMBL3961292

Clc1ccc2c(c1CCc1nccs1)CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.46
HTR2C P28335 8/20 0.46
HTR2B P41595 8/20 0.46
PNMT P11086 4/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NMT1 P30419 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL10227503 0.79 NMT1 (0.48) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12361275 0.79 HTR2A (0.44) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL506179 0.78 NMT1 (0.47) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL2254092 0.78 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL507204 0.77 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL14091674 0.76 HTR2C (0.50) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3963915 0.76 HTR2B (0.47) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL12296161 0.74 HTR2A (0.50) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965071 0.72 HTR2C (0.46) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3967503 0.72 ESR2 (0.41) HTR2CHTR2B

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 11 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
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP 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
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 HTR2A 2/4885HTR2C 1/4885HTR2B 7/4885

“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.