SCHEMBL6100403

SCHEMBL6100403

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc(C(F)(F)F)c(Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.57
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
CHRM4 P08173 2/20 0.38
RAF1 P04049 2/20 0.37
USP30 Q70CQ3 1/20 0.37
BRAF P15056 1/20 0.36
EPHX2 P34913 1/20 0.36
CBLB Q13191 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL6100407 1.00 CHRNA7 (0.57) CHRNA7CCNCCDK8CHRM4RAF1
SCHEMBL6100045 0.95 CHRNA7 (0.50) CHRNA7CCNCCDK8CHRM4RAF1
SCHEMBL6100521 0.92 CHRNA7 (0.57) CHRNA7CCNCCDK8CHRM4USP30
SCHEMBL6100526 0.92 CHRNA7 (0.57) CHRNA7CCNCCDK8CHRM4USP30
SCHEMBL6098945 0.88 CHRNA7 (0.58) CHRNA7USP30
SCHEMBL6098951 0.88 CHRNA7 (0.58) CHRNA7USP30
SCHEMBL6100126 0.86 CHRNA7 (0.50) CHRNA7CCNCCDK8CHRM4USP30
SCHEMBL6101034 0.86 CHRNA7 (0.58) CHRNA7USP30EPHX2
SCHEMBL6101032 0.86 CHRNA7 (0.58) CHRNA7USP30EPHX2
SCHEMBL6100809 0.86 CHRNA7 (0.60) CHRNA7CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (1 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CHRNA7 1836/4885CCNC 94/4885CDK8 916/4885

“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.