SCHEMBL6500280

SCHEMBL6500280

Nc1ccccc1-c1ccc(C(=O)NC2CN3CCC2C3)o1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.55
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HTR3A P46098 1/20 0.49
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL7062109 0.96 CHRNA7 (0.61) CHRNA7ALDH1A1POLBHTR3ACHRM2
SCHEMBL7063264 0.85 CHRNA7 (0.59) CHRNA7ALDH1A1POLBHTR3A
SCHEMBL7059190 0.85 CHRNA7 (0.59) CHRNA7ALDH1A1POLBHTR3A
SCHEMBL7218004 0.85 ALDH1A1 (0.51) CHRNA7ALDH1A1POLBHTR3A
SCHEMBL6490697 0.83 CHRNA7 (0.43) CHRNA7ALDH1A1POLBHTR3A
SCHEMBL7062721 0.83 ALDH1A1 (0.60) CHRNA7ALDH1A1POLBHTR3ACHRM2
SCHEMBL6494673 0.83 NPC1 (0.64) CHRNA7ALDH1A1POLB
SCHEMBL6492511 0.83 ALDH1A1 (0.52) CHRNA7ALDH1A1POLBHTR3A
SCHEMBL6492457 0.83 CHRNA7 (0.48) CHRNA7ALDH1A1POLB
SCHEMBL6492453 0.83 CHRNA7 (0.48) CHRNA7ALDH1A1POLB

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CHRNA7 1097/4885ALDH1A1 625/4885POLB 1370/4885

“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.