SCHEMBL7121307

SCHEMBL7121307

COc1cnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)o1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CHRNA7 P36544 1/20 0.33
KDM1A O60341 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 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
SCHEMBL7121139 0.87 CHRNA7 (0.35) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7123907 0.86 CHRNA7 (0.34) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7124000 0.85 CHRNA7 (0.35) SLC6A2SLC6A4SLC6A3CHRNA7HTR3E
SCHEMBL7127526 0.85 EPHX2 (0.35) SLC6A2SLC6A4SLC6A3CHRNA7KDM1A
SCHEMBL7113509 0.85 CHRNA7 (0.33) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7122608 0.84 CHRNA7 (0.34) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7117160 0.84 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CHRNA7HTR3E
SCHEMBL7120646 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHRNA7KDM1A
SCHEMBL6304623 0.83 CHRNA7 (0.35) CHRNA7
SCHEMBL6305324 0.83 EZH2 (0.32) CHRNA7

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 SLC6A2 1156/4885SLC6A4 2137/4885SLC6A3 2265/4885

“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.