SCHEMBL3965079

SCHEMBL3965079

CC(C)(C)CC(=O)NCCC#Cc1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HTR2B P41595 7/20 0.39
PNMT P11086 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3970643 0.90 HTR2A (0.41) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3961645 0.87 HTR2A (0.40) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965164 0.84 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL3966196 0.81 HTR2A (0.39) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL14115744 0.81 HTR2A (0.42) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965049 0.80 HTR2A (0.38) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL3965505 0.79 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A
Cadaverine Tartrate SCHEMBL4960583 0.79 GBA1 (0.35) HTR2AHTR2CHTR2BGAA
SCHEMBL13768376 0.78 HTR2A (0.33) HTR2AHTR2CHTR2BHPGD
SCHEMBL14115673 0.78 HTR2A (0.43) HTR2AHTR2CHTR2BPNMTADRA2A

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 4 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
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 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.