SCHEMBL7121838

SCHEMBL7121838

COc1cccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MGLL Q99685 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
GRM5 P41594 2/20 0.41
CHRNA7 P36544 1/20 0.41
CHEK2 O96017 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
EZH2 Q15910 1/20 0.40
PTGIR P43119 1/20 0.39
NAAA Q02083 1/20 0.39
HTR4 Q13639 1/20 0.38

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
SCHEMBL7125285 0.90 CHRNA7 (0.40) MTNR1AMTNR1BMGLLGRM5CHRNA7
SCHEMBL7123966 0.90 GRM5 (0.43) GRM5CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7116911 0.87 SLC6A2 (0.37) GRM5CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7120639 0.86 CHRNA7 (0.43) CHRNA7ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7121781 0.85 CHRNA7 (0.44) MGLLCHRNA7EZH2
SCHEMBL7127524 0.85 CHRNA7 (0.55) CHRNA7ALDH1A1EZH2
SCHEMBL7127459 0.85 CHRNA7 (0.43) MGLLGRM5CHRNA7EZH2
SCHEMBL7125274 0.85 CHRNA7 (0.43) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7126701 0.85 PGR (0.48) MTNR1AMTNR1BOPRM1OPRD1GRM5
SCHEMBL7124028 0.84 CHRNA7 (0.43) MGLLOPRM1GRM5CHRNA7CHEK2

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 MTNR1A 1089/4885MTNR1B 383/4885MGLL 4874/4885

“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.