SCHEMBL3965756

SCHEMBL3965756

O=C(NCCCCc1c(Cl)ccc2c1CCNCC2)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
NAAA Q02083 1/20 0.39
OPRM1 P35372 3/20 0.39
CNR1 P21554 2/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
MTNR1A P48039 2/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1B P49286 1/20 0.36
PARP1 P09874 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
SCHEMBL3964060 0.99 NAMPT (0.43) NAMPTGNAI3GNAO1GNAI1HTR2A
SCHEMBL14115859 0.97 NAMPT (0.40) NAMPTGNAI3GNAO1GNAI1HTR2A
SCHEMBL14115777 0.92 HTR2A (0.42) HTR2AHTR2CHTR2BOPRM1TP53
SCHEMBL13768382 0.85 HTR2A (0.43) HTR2AHTR2CHTR2BOPRM1
SCHEMBL13768680 0.85 GNAI3 (0.42) NAMPTGNAI3GNAO1GNAI1HTR2A
SCHEMBL14601593 0.82 NAMPT (0.46) NAMPTNAAACNR1MTNR1AMTNR1B
SCHEMBL3961017 0.81 NAMPT (0.38) NAMPTGNAI3GNAO1GNAI1HTR2A
SCHEMBL13768681 0.81 NAMPT (0.38) NAMPTGNAI3GNAO1GNAI1HTR2A
SCHEMBL3961020 0.81 NAMPT (0.38) NAMPTGNAI3GNAO1GNAI1HTR2A
SCHEMBL3966199 0.80 NAMPT (0.37) NAMPTGNAI3GNAO1GNAI1HTR2A

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
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 NAMPT 4818/4885GNAI3 1667/4885GNAO1 380/4885

“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.