SCHEMBL7590632

SCHEMBL7590632

N#Cc1cccc(-c2csc(C(=O)N[C@H]3CN4CCC3CC4)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.57
CHRNA7 P36544 17/20 0.55
HTR3E A5X5Y0 8/20 0.55
HTR3B O95264 8/20 0.55
HTR3D Q70Z44 8/20 0.55
HTR3C Q8WXA8 8/20 0.55
USP30 Q70CQ3 1/20 0.51

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
SCHEMBL4205007 0.85 CHRNA7 (0.67) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL4205011 0.85 CHRNA7 (0.67) HTR3ACHRNA7HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7059422 0.84 CHRNA7 (0.65) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL4200282 0.84 CHRNA7 (0.75) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL4198184 0.84 CHRNA7 (0.75) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7688113 0.82 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7225969 0.82 HTR3A (0.59) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7218271 0.80 HTR3A (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL4195001 0.80 CHRNA7 (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL4196158 0.80 CHRNA7 (0.54) HTR3ACHRNA7HTR3EHTR3BHTR3D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed

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-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 HTR3A 1069/4885CHRNA7 28/4885HTR3E 1668/4885

“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.