SCHEMBL7124828

SCHEMBL7124828

COc1ccccc1Sc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PTGIR P43119 1/20 0.39
EZH2 Q15910 2/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
MCOLN1 Q9GZU1 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM1A O60341 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
SCHEMBL7124245 0.90 CHRNA7 (0.39) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7117999 0.85 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7120626 0.84 CHRNA7 (0.40) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7117164 0.84 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7125311 0.84 CHRNA7 (0.42) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7123966 0.84 GRM5 (0.43) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7127524 0.84 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7124070 0.83 L3MBTL1 (0.45) CHRNA7EZH2
SCHEMBL6310395 0.82 CHRNA7 (0.40) CHRNA7PTGIREZH2MCOLN2MCOLN1
SCHEMBL7116417 0.82 SIRT1 (0.46) CHRNA7HTR3EHTR3BHTR3AHTR3D

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 397/4885HTR3E 2864/4885HTR3B 1277/4885

“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.