SCHEMBL5406764

SCHEMBL5406764

c1ccc(Oc2ccc(SC3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
CHRNA7 P36544 3/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
Hydrochloric Acid SCHEMBL5647975 0.99 HRH3 (0.45) HRH3CHRNA7CHRNB4CHRNA3LMNA
SCHEMBL3217644 0.86 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3LMNA
SCHEMBL3217634 0.86 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3LMNA
SCHEMBL8864212 0.83 CHRNA7 (0.45) HRH3CHRNA7CHRNB4CHRNA3LMNA
SCHEMBL5401369 0.81 CHRNA7 (0.42) CHRNA7CHRNB4CHRNA3LMNAALDH1A1
Hydrochloric Acid SCHEMBL5651607 0.79 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3LMNAALDH1A1
SCHEMBL5652461 0.76 CHRNA7 (0.42) HRH3CHRNA7CHRNB4CHRNA3RAB9A
SCHEMBL3225480 0.76 MEN1 (0.44) HRH3CHRNA7CHRNB4CHRNA3
SCHEMBL3225478 0.76 MEN1 (0.44) HRH3CHRNA7CHRNB4CHRNA3
SCHEMBL14591105 0.76 ALDH1A1 (0.45) CHRNA7ALDH1A1

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 HRH3 253/4885CHRNA7 8/4885CHRNB4 18/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 HRH3 169/4885CHRNA7 11/4885CHRNB4 19/4885

“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.