SCHEMBL7122356

SCHEMBL7122356

COc1cnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CHRNA7 P36544 1/20 0.33
ALOX5 P09917 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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 0.87 HDAC6 (0.39) HDAC6SLC6A2SLC6A4SLC6A3HTR3E
SCHEMBL7123390 0.86 HDAC6 (0.38) HDAC6SLC6A2SLC6A4SLC6A3HTR3E
SCHEMBL7124937 0.85 HDAC6 (0.39) HDAC6CHRNA7ALOX5
SCHEMBL7114408 0.84 HDAC6 (0.37) HDAC6SLC6A2SLC6A4SLC6A3HTR3E
SCHEMBL7234233 0.84 SLC6A3 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL7121247 0.84 SLC6A2 (0.37) HDAC6SLC6A2SLC6A4SLC6A3HTR3E
SCHEMBL7120663 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR3EHTR3B
SCHEMBL7123327 0.83 MLYCD (0.38) HDAC6SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7123354 0.83 HDAC6 (0.37) HDAC6SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7116193 0.83 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR3EHTR3B

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 760/4885SLC6A2 1156/4885SLC6A4 2137/4885

“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.