SCHEMBL7121696

SCHEMBL7121696

CC(=O)c1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
EZH2 Q15910 1/20 0.34
PANK3 Q9H999 1/20 0.33
CTSC P53634 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
F10 P00742 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7233055 0.92 HPGD (0.36) CHRNA7SLC6A4SLC6A2SLC6A3HSD17B1
SCHEMBL7124223 0.88 CHRNA7 (0.36) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7120734 0.86 GAA (0.35) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7231256 0.86 CHRNB2 (0.35) CHRNA7SLC6A4SLC6A2SLC6A3HSD17B1
SCHEMBL7126699 0.85 CHRNA7 (0.36) CHRNA7SLC6A4SLC6A2SLC6A3F10
SCHEMBL7232207 0.85 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3HPGD
SCHEMBL7231963 0.85 ESR1 (0.37) CHRNA7SLC6A4SLC6A2SLC6A3HSD17B1
SCHEMBL7120663 0.85 SLC6A2 (0.38) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7116048 0.85 HPGD (0.46) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7115100 0.84 CHRNA7 (0.36) CHRNA7SLC6A4SLC6A2SLC6A3EZH2

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 397/4885SLC6A4 2137/4885SLC6A2 1156/4885

“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.