SCHEMBL5403328

SCHEMBL5403328

Nc1ccc(Oc2ccc(NC3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.42
CHRNA7 P36544 9/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL5651641 0.99 HTR3A (0.41) HTR3ACHRNA7ALDH1A1CYP3A4TSHR
SCHEMBL12005492 0.91 CHRNA7 (0.46) HTR3ACHRNA7TSHRGAASMN1; SMN2
SCHEMBL5390956 0.87 CHRNA7 (0.47) HTR3ACHRNA7GAASMN1; SMN2
SCHEMBL5404570 0.86 CHRNA7 (0.43) HTR3ACHRNA7GAASMN1; SMN2
SCHEMBL5400095 0.85 HTR3A (0.47) HTR3ACHRNA7ALDH1A1
SCHEMBL5400351 0.85 ALDH1A1 (0.53) HTR3ACHRNA7ALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL5653292 0.85 CHRNA7 (0.46) HTR3ACHRNA7ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL5653841 0.84 ALDH1A1 (0.55) HTR3ACHRNA7ALDH1A1TSHRGAA
Hydrochloric Acid SCHEMBL5651869 0.84 HTR3A (0.46) HTR3ACHRNA7ALDH1A1
SCHEMBL4961084 0.80 HTR3A (0.56) HTR3ACHRNA7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US claimed
JP-2007515486-A 2007-06-14 JP claimed
EP-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP claimed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO claimed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
EP-1735305-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
WO-2005066167-A2 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO disclosed
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES 2005-06-23 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 (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-20050137398-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA1, CHRNA2, CHRM2 HTR3A 194/4885CHRNA7 8/4885ALDH1A1 664/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 HTR3A 71/4885CHRNA7 11/4885ALDH1A1 805/4885

“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.