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SCHEMBL1472522

SCHEMBL1472522

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.75
▸ CYP3A4 P08684 3/20 0.55
▸ CYP2C19 P33261 5/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ CYP2B6 P20813 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ CNR2 P34972 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32

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 0.91 CYP2C9 (0.78) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12751544 0.90 CYP2C9 (0.77) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12828743 0.89 CYP2C9 (0.75) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL14263048 0.89 CYP2C9 (0.75) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12751530 0.89 CYP2C9 (0.75) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12751547 0.89 CYP2C9 (0.75) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12828744 0.89 CYP2C9 (0.74) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL14252921 0.89 CYP2C9 (0.74) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12751771 0.89 CYP2C9 (0.74) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2
SCHEMBL12752524 0.88 CYP2C9 (0.59) CYP2C9CYP3A4CYP2C19CYP2D6CYP1A2

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 520/4885CYP3A4 41/4885CYP2C19 266/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CYP2C9 453/4885CYP3A4 62/4885CYP2C19 197/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CYP2C9 520/4885CYP3A4 41/4885CYP2C19 266/4885

“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.