SCHEMBL7126739

SCHEMBL7126739

COc1cc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HPGDS O60760 1/20 0.37
CTSC P53634 1/20 0.37
CHRNA7 P36544 1/20 0.36

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
SCHEMBL7123867 0.87 CHRNA7 (0.38) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7116858 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HPGDSCTSC
SCHEMBL7117129 0.86 CHRNA7 (0.37) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7122575 0.85 TAS1R3 (0.43) CHRNA7
SCHEMBL7114457 0.84 HPGDS (0.36) SLC6A2SLC6A4SLC6A3HPGDS
SCHEMBL7125364 0.84 PIK3C3 (0.39) CHRNA7
SCHEMBL7123966 0.84 GRM5 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7116456 0.83 EGLN1 (0.39) EGLN1
SCHEMBL7223916 0.83 CTSC (0.35) EGLN1SLC6A2SLC6A4SLC6A3CTSC
SCHEMBL7119268 0.83 CTSC (0.38) EGLN1SLC6A2SLC6A4SLC6A3CTSC

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 EGLN1 1991/4885SLC6A2 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.