SCHEMBL1472476

SCHEMBL1472476

O=C(C(=O)N1CCC(=C(c2ccccc2)c2cc(F)cc(F)c2)CC1)c1c[nH]c2c(Cl)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
CYP2C19 P33261 3/20 0.37
PTAFR P25105 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2B6 P20813 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 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
SCHEMBL1473055 0.83 CYP2C9 (0.40) CYP2C9CYP2C19PTAFRKDM5AKDM4C
SCHEMBL12751012 0.81 CYP2C9 (0.39) CYP2C9CYP2C19KDM5AKDM4CMAPT
SCHEMBL1473237 0.81 CYP2C9 (0.39) CYP2C9FNTAFNTBCYP2C19PTAFR
SCHEMBL15494307 0.81 CYP2C9 (0.39) CYP2C9CYP2C19PTAFRKDM5AKDM4C
SCHEMBL1473541 0.81 CYP2C9 (0.39) CYP2C9CYP2C19KDM5AKDM4CMAPT
SCHEMBL1764105 0.80 CYP2C9 (0.55) CYP2C9CYP2C19KDM5AKDM4CLMNA
SCHEMBL1473394 0.71 CYP3A4 (0.72) CYP2C9CYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL2629259 0.71 CYP2C19 (0.63) CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL12777924 0.71 CYP2C9 (0.35) CYP2C9FNTAFNTBCYP2C19PTAFR
SCHEMBL12752474 0.71 CYP2C9 (0.68) CYP2C9CYP2C19MAPTLMNACYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 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 (3 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-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CYP2C9 520/4885FNTA 3139/4885FNTB 3532/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CYP2C9 453/4885FNTA 2583/4885FNTB 3319/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CYP2C9 520/4885FNTA 3139/4885FNTB 3532/4885

“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.