SCHEMBL3627622

SCHEMBL3627622

Cc1nc2c(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc(C#N)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.53
OPRK1 P41145 4/20 0.51
OPRD1 P41143 3/20 0.51
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL5009923 0.82 OPRM1 (0.52) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL3628778 0.79 OPRM1 (0.64) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL3627830 0.79 OPRM1 (0.58) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL27649673 0.74 OPRM1 (0.66) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL16883487 0.74 OPRM1 (0.62) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL4369836 0.73 HSP90AB1 (0.56) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL4374093 0.72 OPRM1 (0.60) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL3632840 0.72 OPRM1 (0.60) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL12191669 0.72 OPRM1 (0.60) OPRM1OPRK1OPRD1HSP90AB1
SCHEMBL1219080 0.72 OPRM1 (0.66) OPRM1OPRK1OPRD1HSP90AB1

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
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 OPRM1 2733/4885OPRK1 478/4885OPRD1 1382/4885

“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.