SCHEMBL3634086

SCHEMBL3634086

CCc1nn(-c2c(F)c(F)c(C#N)c(F)c2F)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.44
OPRM1 P35372 11/20 0.41
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.35

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
SCHEMBL3631112 0.82 HSP90AB1 (0.52) HSP90AB1OPRM1ALPLHSP90AA1ALDH1A1
SCHEMBL3626076 0.78 OPRM1 (0.47) HSP90AB1OPRM1HSP90AA1ALDH1A1LMNA
SCHEMBL17583962 0.78 HPGD (0.32) ALDH1A1GAAHSD17B10
SCHEMBL3632124 0.75 HSP90AB1 (0.56) HSP90AB1OPRM1HSP90AA1ALDH1A1LMNA
SCHEMBL3630279 0.73 HSP90AB1 (0.55) HSP90AB1HSP90AA1
SCHEMBL3629622 0.73 HSP90AB1 (0.55) HSP90AB1HSP90AA1
SCHEMBL3627633 0.71 HSP90AB1 (0.56) HSP90AB1OPRM1HSP90AA1ALDH1A1LMNA
SCHEMBL3630344 0.71 HSP90AB1 (0.65) HSP90AB1HSP90AA1
SCHEMBL3631673 0.71 HSP90AB1 (0.53) HSP90AB1HSP90AA1
SCHEMBL3630342 0.71 HSP90AB1 (0.65) HSP90AB1HSP90AA1

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 HSP90AB1 2/4885OPRM1 2733/4885ALPL 3965/4885

“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.