SCHEMBL7595059

SCHEMBL7595059

CC(=O)[AsH]c1ccc(C(=O)N[C@H]2CN3CCC2CC3)o1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
CHRNA7 P36544 10/20 0.52
HTR3A P46098 3/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7062005 0.80 ALDH1A1 (0.54) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL4207670 0.79 CHRNA7 (0.61) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL4207672 0.79 CHRNA7 (0.61) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL7060957 0.78 ALDH1A1 (0.70) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL7128710 0.78 ALDH1A1 (0.73) ALDH1A1POLBCHRNA7HTR3A
Hydrochloric Acid SCHEMBL4221906 0.78 CHRNA7 (0.60) ALDH1A1POLBCHRNA7HTR3AHTR3E
Hydrochloric Acid SCHEMBL4221903 0.78 CHRNA7 (0.60) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL4198172 0.77 ALDH1A1 (0.72) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL7059501 0.77 ALDH1A1 (0.69) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL4202120 0.77 ALDH1A1 (0.72) ALDH1A1POLBCHRNA7HTR3AHTR3E

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 ALDH1A1 267/4885POLB 344/4885CHRNA7 28/4885

“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.