SCHEMBL5397013

SCHEMBL5397013

Nc1cccc(-c2cnc(O[C@@H]3CN4CCC3CC4)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.47
NTMT1 Q9BV86 1/20 0.44
CHRNA7 P36544 1/20 0.43
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL5417741 1.00 MAP4K4 (0.47) MAP4K4NTMT1CHRNA7CHRNB1CHRNB2
SCHEMBL5394680 1.00 MAP4K4 (0.47) MAP4K4NTMT1CHRNA7CHRNB1CHRNB2
Fumaric Acid SCHEMBL5418970 0.90 NTMT1 (0.45) MAP4K4NTMT1CHRNA7CHRM2CHRM1
Fumaric Acid SCHEMBL5412745 0.90 NTMT1 (0.45) MAP4K4NTMT1CHRNA7CHRM2CHRM1
Fumaric Acid SCHEMBL5418959 0.90 NTMT1 (0.45) MAP4K4NTMT1CHRNA7CHRM2CHRM1
Fumaric Acid SCHEMBL5412757 0.90 NTMT1 (0.45) MAP4K4NTMT1CHRNA7CHRM2CHRM1
SCHEMBL5399730 0.87 MAP4K4 (0.45) MAP4K4NTMT1CHRNA7CHRM2CHRM1
SCHEMBL3844172 0.86 CHRNA7 (0.48) NTMT1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL3844170 0.86 CHRNA7 (0.48) NTMT1CHRNA7CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5417675 0.86 MAP4K4 (0.44) MAP4K4NTMT1CHRNA7CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US claimed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US claimed
JP-2007515485-A 2007-06-14 JP claimed
EP-1699785-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-09-13 EP claimed
WO-2005066166-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO claimed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 US claimed
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
EP-1699785-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-09-13 EP disclosed
WO-2005066166-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO disclosed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 US disclosed
US-20050137203-A1 3-quinuclidinyl amino-substituted 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 (3 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-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives CHRNA7, CHRNA9, CHRNA1 MAP4K4 4147/4885NTMT1 1622/4885CHRNA7 1/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 MAP4K4 4147/4885NTMT1 1622/4885CHRNA7 1/4885
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives CHRNA9, CHRNA7, CHRNA1 MAP4K4 4183/4885NTMT1 1624/4885CHRNA7 2/4885

“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.