SCHEMBL7219114

SCHEMBL7219114

O=C(N[C@H]1CN2CCC1CC2)c1cnc(Oc2ccc(Cl)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CHRNA7 P36544 16/20 0.57
HTR3A P46098 7/20 0.57
HTR3E A5X5Y0 6/20 0.57
HTR3B O95264 6/20 0.57
HTR3D Q70Z44 6/20 0.57
HTR3C Q8WXA8 6/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
LSS P48449 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
Fumaric Acid SCHEMBL7122030 0.94 ALDH1A1 (0.52) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
Fumaric Acid SCHEMBL7122032 0.94 ALDH1A1 (0.52) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL7219999 0.90 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
Fumaric Acid SCHEMBL7218213 0.85 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
Fumaric Acid SCHEMBL7218210 0.85 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6883916 0.84 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6874735 0.84 CHRNA7 (0.61) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL7118782 0.82 CHRNA7 (0.58) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL7122224 0.82 CHRNA7 (0.58) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL7061053 0.82 CHRNA7 (0.60) ALDH1A1CHRNA7HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US claimed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
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 (2 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-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 ALDH1A1 130/4885CHRNA7 304/4885HTR3A 712/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 ALDH1A1 267/4885CHRNA7 28/4885HTR3A 1069/4885

“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.