SCHEMBL7685950

SCHEMBL7685950

CCc1cnc(Oc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.44
CHRNA4 P43681 11/20 0.44
CHRNA7 P36544 11/20 0.44
ALDH1A1 P00352 2/20 0.38
TP53 P04637 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
SCHEMBL6882627 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL6884988 0.87 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7
SCHEMBL6882528 0.86 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL7676441 0.86 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL6874478 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7
SCHEMBL6879154 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7
SCHEMBL6881702 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL6874486 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7
SCHEMBL6872565 0.83 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL6881335 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 US claimed
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US disclosed
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 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-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 CHRNB2 595/4885CHRNA4 594/4885CHRNA7 365/4885

“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.