SCHEMBL7124881

SCHEMBL7124881

CSc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CHRNA7 P36544 1/20 0.37
CCR2 P41597 2/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SSTR3 P32745 1/20 0.34
PLK1 P53350 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7119235 0.86 CYP2A6 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7HPGD
SCHEMBL6098344 0.85 CHRNB4 (0.39) CHRNA7SSTR3SMYD3
SCHEMBL7121745 0.85 CHRNB2 (0.40) CHRNA7SSTR3SMYD3
SCHEMBL6100330 0.84 SSTR3 (0.47) SSTR3
SCHEMBL7124945 0.84 CHRNA7 (0.37) CHRNA7SSTR3TAS1R3TAS1R2SMYD3
SCHEMBL7121774 0.84 CHRNA7 (0.36) CHRNA7SSTR3SMYD3
SCHEMBL7124032 0.84 SSTR3 (0.45) SLC6A3CHRNA7SSTR3TAS1R3TAS1R2
SCHEMBL7121130 0.84 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CHRNA7SSTR3
SCHEMBL7125111 0.84 DRD4 (0.40) CHRNA7SSTR3SMYD3
SCHEMBL6102157 0.84 F10 (0.45) SLC6A4SLC6A3CHRNA7SSTR3TAS1R3

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 SLC6A2 1156/4885SLC6A4 2137/4885SLC6A3 2265/4885

“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.