SCHEMBL5009979

SCHEMBL5009979

CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(N[C@H]4CCCC[C@@H]4OCc4ccccc4)c3)c2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.49
HSP90AB1 P08238 10/20 0.49
HSP90B1 P14625 1/20 0.49
TRAP1 Q12931 1/20 0.49
OPRM1 P35372 2/20 0.39
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
AR P10275 1/20 0.34
NAE1 Q13564 1/20 0.33
UBA3 Q8TBC4 1/20 0.33

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
SCHEMBL5004689 0.90 HSP90AB1 (0.47) HSP90AA1HSP90AB1OPRM1
SCHEMBL5008000 0.89 HSP90AB1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL5009862 0.89 HSP90AB1 (0.47) HSP90AA1HSP90AB1OPRM1
SCHEMBL5001466 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5004777 0.88 HSP90AB1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1AXL
SCHEMBL5009955 0.86 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5009954 0.86 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL24334736 0.80 HSP90AB1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL29529767 0.80 HSP90AB1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1OPRM1
SCHEMBL27196733 0.79 HSP90AB1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 4/4885HSP90AB1 2/4885HSP90B1 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.