SCHEMBL3961020

SCHEMBL3961020

O=C(NCCCC=Cc1c(Cl)ccc2c1CCNCC2)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 3/20 0.37
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
NAAA Q02083 1/20 0.34
CNR1 P21554 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
MTNR1A P48039 2/20 0.33
PARP1 P09874 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL3961017 1.00 NAMPT (0.38) NAMPTHTR2AHTR2CHTR2BOPRM1
SCHEMBL13768681 1.00 NAMPT (0.38) NAMPTHTR2AHTR2CHTR2BOPRM1
SCHEMBL3965969 0.89 HTR2A (0.39) HTR2AHTR2CHTR2BOPRM1SMN1; SMN2
SCHEMBL3965970 0.89 HTR2A (0.39) HTR2AHTR2CHTR2BOPRM1SMN1; SMN2
SCHEMBL14601596 0.83 NAMPT (0.40) NAMPTNPC1PKMEPHX2RAB9A
SCHEMBL14115859 0.81 NAMPT (0.40) NAMPTHTR2AHTR2CHTR2BOPRM1
SCHEMBL14091686 0.81 NAMPT (0.38) NAMPTCNR1MTNR1ADRD2DRD3
SCHEMBL3970340 0.81 NAMPT (0.38) NAMPTCNR1MTNR1ADRD2DRD3
SCHEMBL3970338 0.81 NAMPT (0.38) NAMPTCNR1MTNR1ADRD2DRD3
SCHEMBL3965756 0.81 NAMPT (0.42) NAMPTHTR2AHTR2CHTR2BOPRM1

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 3 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
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 NAMPT 4818/4885HTR2A 2/4885HTR2C 1/4885

“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.