SCHEMBL3961297

SCHEMBL3961297

O=C(NCC#Cc1c(Cl)ccc2c1CCNCC2)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 6/20 0.39
OPRM1 P35372 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PNMT P11086 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CDK9 P50750 1/20 0.33
BDKRB2 P30411 1/20 0.32
BDKRB1 P46663 1/20 0.32
PARP1 P09874 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
SCHEMBL3965049 0.90 HTR2A (0.38) HTR2AHTR2CHTR2BOPRM1SMN1; SMN2
SCHEMBL3966199 0.88 NAMPT (0.37) HTR2AHTR2CHTR2BOPRM1SMN1; SMN2
SCHEMBL3965505 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3970643 0.81 HTR2A (0.41) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965551 0.80 ESR1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL13768382 0.79 HTR2A (0.43) HTR2AHTR2CHTR2BOPRM1SMN1; SMN2
SCHEMBL14115777 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BOPRM1HSD17B10
SCHEMBL14115859 0.75 NAMPT (0.40) HTR2AHTR2CHTR2BOPRM1
SCHEMBL3961645 0.75 HTR2A (0.40) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965969 0.74 HTR2A (0.39) HTR2AHTR2CHTR2BOPRM1SMN1; SMN2

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 7 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
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 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.