SCHEMBL7124928

SCHEMBL7124928

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccco2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
ALDH1A1 P00352 1/20 0.37
EZH2 Q15910 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
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
EPHX2 P34913 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
SCHEMBL7127524 0.85 CHRNA7 (0.55) CHRNA7ALDH1A1EZH2HTR3EHTR3B
SCHEMBL7124899 0.84 CHRNA7 (0.36) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7123960 0.83 CHRNA7 (0.35) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7116310 0.83 CHRNA7 (0.35) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7116865 0.83 CHRNA7 (0.36) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7118045 0.83 CHRNA7 (0.36) CHRNA7ALDH1A1EZH2SLC6A2SLC6A4
SCHEMBL7124385 0.82 CHRNA7 (0.44) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7121747 0.82 CHRNA7 (0.35) CHRNA7ALDH1A1EZH2SLC6A2SLC6A4
SCHEMBL7124952 0.82 SLC6A4 (0.36) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7122497 0.82 CHRNA7 (0.36) CHRNA7EZH2SLC6A2SLC6A4SLC6A3

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 CHRNA7 397/4885ALDH1A1 870/4885EZH2 462/4885

“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.