SCHEMBL3627633

SCHEMBL3627633

CCc1nn(-c2ccc(C#N)c(Br)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.56
HSP90AA1 P07900 2/20 0.49
OPRM1 P35372 10/20 0.48
OPRK1 P41145 3/20 0.43
OPRD1 P41143 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP11B2 P19099 2/20 0.39

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
SCHEMBL3632124 0.88 HSP90AB1 (0.56) HSP90AB1HSP90AA1OPRM1ALDH1A1LMNA
SCHEMBL1219080 0.86 OPRM1 (0.66) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL3632046 0.84 HSP90AB1 (0.43) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL1220320 0.83 HSP90AB1 (0.57) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL1220212 0.83 HSP90AB1 (0.50) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL3626076 0.78 OPRM1 (0.47) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL3631112 0.78 HSP90AB1 (0.52) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL22548234 0.77 CA4 (0.57) ALDH1A1CYP11B2
SCHEMBL29460659 0.77 CA4 (0.57) ALDH1A1CYP11B2
SCHEMBL16883487 0.75 OPRM1 (0.62) HSP90AB1OPRM1OPRK1OPRD1CYP11B2

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 HSP90AB1 2/4885HSP90AA1 4/4885OPRM1 2733/4885

“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.