SCHEMBL3630140

SCHEMBL3630140

Cc1cn(-c2ccc(C#N)c(N[C@H]3CCOC3)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.63
HSP90AA1 P07900 14/20 0.63
HSP90B1 P14625 5/20 0.63
TRAP1 Q12931 3/20 0.63
CYP11B2 P19099 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
SCHEMBL3630143 1.00 HSP90AB1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1CYP11B2
SCHEMBL3634090 0.85 HSP90AB1 (0.73) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3634084 0.85 HSP90AB1 (0.73) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3628058 0.84 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3661493 0.84 HSP90AA1 (0.77) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3631955 0.84 HSP90AA1 (0.77) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3628057 0.84 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL1220286 0.78 HSP90AA1 (0.82) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL21250613 0.78 HSP90AB1 (0.75) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3632541 0.77 HSP90AA1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1

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 4/4885HSP90B1 13/4885

“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.