SCHEMBL3631362

SCHEMBL3631362

Cc1nn(-c2ccc(C(N)=O)c(NC3COC3)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.84
HSP90AB1 P08238 17/20 0.84
HSP90B1 P14625 4/20 0.62
TRAP1 Q12931 4/20 0.62
OPRM1 P35372 3/20 0.52

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
SCHEMBL5005048 0.93 HSP90AA1 (0.90) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL5004732 0.93 HSP90AA1 (0.90) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL3634060 0.93 HSP90AA1 (0.90) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL1220650 0.92 HSP90AA1 (0.93) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL1220501 0.91 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL1219907 0.90 HSP90AA1 (0.81) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL1220500 0.90 HSP90AA1 (0.87) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL3631683 0.90 HSP90AA1 (0.87) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL1220463 0.90 HSP90AA1 (0.80) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL1746155 0.89 HSP90AB1 (0.82) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1

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 7 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 claimed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO claimed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US claimed
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-05-26 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HSP90AA1 4/4885HSP90AB1 2/4885HSP90B1 13/4885
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 2/4885

“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.