SCHEMBL5407084

SCHEMBL5407084

O=C(Nc1ccc(OC2CN3CCC2CC3)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.57
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
LSS P48449 1/20 0.57
CYP2D6 P10635 1/20 0.54
PGR P06401 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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 SCHEMBL5652302 0.99 CHRNA7 (0.56) CHRNA7BCHEACHELSSCYP2D6
Hydrochloric Acid SCHEMBL9469207 0.81 LSS (0.57) CHRNA7BCHEACHELSSCYP2D6
SCHEMBL5404060 0.80 CHRNA7 (0.52) CHRNA7BCHEACHELSSCYP2D6
SCHEMBL5403630 0.80 CHRNA7 (0.52) CHRNA7BCHEACHELSSCYP2D6
SCHEMBL3218661 0.79 LSS (0.56) CHRNA7BCHEACHELSSCHRM2
SCHEMBL3218491 0.79 LSS (0.56) CHRNA7BCHEACHELSSCHRM2
SCHEMBL3218495 0.79 LSS (0.56) CHRNA7BCHEACHELSSCHRM2
Hydrochloric Acid SCHEMBL5651195 0.79 CHRNA7 (0.51) CHRNA7BCHEACHELSSCYP2D6
Hydrochloric Acid SCHEMBL5655122 0.79 CHRNA7 (0.51) CHRNA7BCHEACHELSSCYP2D6
SCHEMBL5396813 0.77 LSS (0.55) CHRNA7BCHEACHELSSCHRM2

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 CHRNA7 8/4885BCHE 464/4885ACHE 62/4885
US-20050137226-A1 3-Quinuclidinyl heteroatom bridged biaryl derivatives CHRNA3, CHRNA1, CHRM3 CHRNA7 11/4885BCHE 315/4885ACHE 78/4885

“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.