SCHEMBL7123390

SCHEMBL7123390

CC(=O)c1cnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
ALOX5 P09917 1/20 0.37
USP7 Q93009 1/20 0.37
CHRNA7 P36544 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
EZH2 Q15910 1/20 0.32
F10 P00742 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL7116913 0.88 HDAC6 (0.39) HDAC6ALOX5CHRNA7SLC6A4SLC6A2
SCHEMBL7114408 0.87 HDAC6 (0.37) HDAC6ALOX5CHRNA7SLC6A4SLC6A2
SCHEMBL7124937 0.86 HDAC6 (0.39) HDAC6ALOX5CHRNA7F10
SCHEMBL7122356 0.86 HDAC6 (0.37) HDAC6ALOX5CHRNA7SLC6A4SLC6A2
SCHEMBL7708621 0.85 HDAC6 (0.37) HDAC6ALOX5USP7CHRNA7EZH2
SCHEMBL7226621 0.84 SLC6A3 (0.39) HDAC6CHRNA7SLC6A4SLC6A2SLC6A3
SCHEMBL7123272 0.84 HDAC6 (0.38) HDAC6USP7CHRNA7SLC6A4SLC6A2
SCHEMBL7222700 0.84 SLC6A4 (0.37) HDAC6USP7CHRNA7SLC6A4SLC6A2
SCHEMBL7230480 0.84 HDAC6 (0.38) HDAC6CHRNA7F10HTR3EHTR3B
SCHEMBL7123354 0.84 HDAC6 (0.37) HDAC6ALOX5CHRNA7SLC6A4SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 HDAC6 760/4885ALOX5 1885/4885USP7 1674/4885

“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.