SCHEMBL7124899

SCHEMBL7124899

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cnco2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
EZH2 Q15910 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL7124928 0.84 CHRNA7 (0.40) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7116052 0.82 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7124952 0.82 SLC6A4 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7126733 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7120651 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL6309440 0.81 CHRNA7 (0.34) CHRNA7EZH2
SCHEMBL6311950 0.81 CHRNA7 (0.38) CHRNA7EZH2CYP46A1
SCHEMBL7224846 0.81
SCHEMBL7123960 0.80 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7116310 0.80 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2

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 397/4885SLC6A2 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.