SCHEMBL5404570

SCHEMBL5404570

Nc1ccc(-c2ccc(NC3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.43
HTR3A P46098 5/20 0.43
BRAF P15056 2/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL12005492 0.95 CHRNA7 (0.46) CHRNA7HTR3AGAASMN1; SMN2MEN1
Fumaric Acid SCHEMBL5420260 0.88 CHRNA7 (0.43) CHRNA7HTR3A
Fumaric Acid SCHEMBL5420255 0.88 CHRNA7 (0.43) CHRNA7HTR3A
SCHEMBL5403328 0.86 HTR3A (0.42) CHRNA7HTR3AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5651641 0.85 HTR3A (0.41) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL1542568 0.78 HTR3A (0.46) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL13444722 0.78 CHRNA7 (0.59) CHRNA7HTR3AGAA
SCHEMBL3928547 0.78 CHRNA7 (0.59) CHRNA7HTR3AGAA
Hydrochloric Acid SCHEMBL5649732 0.77 HTR3A (0.44) CHRNA7HTR3AGAASMN1; SMN2MEN1
SCHEMBL5400969 0.77 CHRNA7 (0.55) CHRNA7HTR3AGAASMN1; SMN2MEN1

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 CHRNA7 1/4885HTR3A 123/4885BRAF 4727/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 CHRNA7 1/4885HTR3A 123/4885BRAF 4727/4885
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives CHRNA9, CHRNA7, CHRNA1 CHRNA7 2/4885HTR3A 156/4885BRAF 4653/4885

“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.