SCHEMBL3632045

SCHEMBL3632045

CCc1nn(-c2ccc(C(N)=O)c(NC3CCCCC3OCc3ccccc3)c2F)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 11/20 0.48
HSP90AA1 P07900 9/20 0.48
OPRM1 P35372 3/20 0.40
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MERTK Q12866 4/20 0.35
AXL P30530 3/20 0.35
MET P08581 1/20 0.35
TYRO3 Q06418 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5004798 1.00 HSP90AB1 (0.48) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL3630734 0.86 HSP90AB1 (0.55) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL5008037 0.86 HSP90AB1 (0.55) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL5005042 0.85 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5005184 0.83 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL17266042 0.81 HSP90AB1 (0.43) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL3631396 0.80 HSP90AB1 (0.58) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL8121721 0.80 HSP90AB1 (0.69) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL3631688 0.80 HSP90AB1 (0.69) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
Hydrochloric Acid SCHEMBL17257646 0.80 HSP90AB1 (0.42) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1

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.