SCHEMBL4582540

SCHEMBL4582540

Cc1nn(-c2ccc(C#N)c(Br)c2)c2c1C(=O)CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.42
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
AR P10275 1/20 0.36
CYP11B2 P19099 2/20 0.35
HSP90AB1 P08238 3/20 0.35
HSP90AA1 P07900 2/20 0.34

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
SCHEMBL14177802 0.86 HSP90AB1 (0.39) OPRM1CCNA2CDK2ARCYP11B2
SCHEMBL1219080 0.81 OPRM1 (0.66) OPRM1OPRK1OPRD1HSP90AB1HSP90AA1
SCHEMBL18272548 0.75 OPRM1 (0.45) OPRM1OPRK1OPRD1ARCYP11B2
SCHEMBL18272618 0.75 OPRM1 (0.47) OPRM1OPRK1OPRD1ARCYP11B2
Benzene SCHEMBL27670012 0.72 OPRM1 (0.44) OPRM1OPRK1OPRD1ARCYP11B2
SCHEMBL14177803 0.71 HSP90AA1 (0.56) OPRM1HSP90AB1HSP90AA1
SCHEMBL3627633 0.70 HSP90AB1 (0.56) OPRM1OPRK1OPRD1CYP11B2HSP90AB1
SCHEMBL16883487 0.70 OPRM1 (0.62) OPRM1OPRK1OPRD1CYP11B2HSP90AB1
SCHEMBL1220212 0.69 HSP90AB1 (0.50) OPRM1OPRK1OPRD1CYP11B2HSP90AB1
SCHEMBL1220320 0.69 HSP90AB1 (0.57) OPRM1OPRK1OPRD1CYP11B2HSP90AB1

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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 OPRM1 3776/4885OPRK1 2295/4885OPRD1 3179/4885

“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.