SCHEMBL3626076

SCHEMBL3626076

CCc1nn(-c2ccc(C#N)c(F)c2F)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.47
HSP90AB1 P08238 3/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OPRK1 P41145 4/20 0.41
OPRD1 P41143 3/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL3628778 0.86 OPRM1 (0.64) OPRM1HSP90AB1OPRK1OPRD1
SCHEMBL3632124 0.82 HSP90AB1 (0.56) OPRM1HSP90AB1ALDH1A1LMNAGAA
SCHEMBL17583956 0.81 AR (0.35) OPRM1
SCHEMBL3627633 0.78 HSP90AB1 (0.56) OPRM1HSP90AB1ALDH1A1LMNAGAA
SCHEMBL3634086 0.78 HSP90AB1 (0.44) OPRM1HSP90AB1ALDH1A1LMNAGAA
SCHEMBL3631112 0.77 HSP90AB1 (0.52) OPRM1HSP90AB1ALDH1A1LMNAGAA
SCHEMBL3632442 0.72 OPRM1 (0.46) OPRM1HSP90AB1ALDH1A1LMNAGAA
SCHEMBL3630113 0.72 HSP90AB1 (0.51) OPRM1HSP90AB1ALDH1A1LMNAOPRK1
SCHEMBL3627830 0.71 OPRM1 (0.58) OPRM1HSP90AB1OPRK1OPRD1
SCHEMBL3631396 0.70 HSP90AB1 (0.58) OPRM1HSP90AB1HSP90AA1

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 6 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
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
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US 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 2733/4885HSP90AB1 2/4885ALDH1A1 479/4885

“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.