SCHEMBL12752467

SCHEMBL12752467

COc1ncc(OC)c2c(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4ccc(F)cc4)CC3)c[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.71
CYP3A4 P08684 2/20 0.53
KCNH2 Q12809 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2B6 P20813 1/20 0.52
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CNR2 P34972 1/20 0.35
LMNA P02545 2/20 0.35
HSD11B1 P28845 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
GRM5 P41594 2/20 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
SCHEMBL12752444 0.95 CYP2C9 (0.78) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752474 0.93 CYP2C9 (0.68) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752456 0.92 CYP2C9 (0.72) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752470 0.92 CYP2C9 (0.73) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752468 0.90 CYP2C9 (0.69) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12829048 0.90 CYP2C9 (0.68) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752453 0.90 CYP2C9 (0.68) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752439 0.89 CYP2C9 (0.69) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752449 0.89 CYP2C9 (0.69) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19
SCHEMBL12752548 0.88 CYP2C9 (0.55) CYP2C9CYP3A4KCNH2CYP2D6CYP2C19

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
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-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

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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CYP2C9 453/4885CYP3A4 62/4885KCNH2 770/4885

“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.