SCHEMBL4117772

SCHEMBL4117772

CN1C[C@H]2CN(c3cncc(-c4ccc5cc[nH]c5c4)c3)[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.44
PIP4K2B P78356 1/20 0.44
CHRNA7 P36544 6/20 0.43
KCNH2 Q12809 5/20 0.43
HRH3 Q9Y5N1 6/20 0.41
BRAF P15056 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37

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
SCHEMBL4117768 1.00 PIP4K2A (0.44) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4120169 0.92 CHRNA7 (0.49) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4120175 0.92 CHRNA7 (0.49) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4103059 0.91 HRH3 (0.52) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4102303 0.84 HRH3 (0.51) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4109634 0.83 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4114272 0.83 HRH3 (0.46) PIP4K2APIP4K2BKCNH2HRH3
SCHEMBL4114755 0.81 PIP4K2A (0.41) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4102255 0.80 KCNH2 (0.60) PIP4K2APIP4K2BCHRNA7KCNH2HRH3
SCHEMBL4108271 0.80 KCNH2 (0.60) PIP4K2APIP4K2BCHRNA7KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP claimed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 US claimed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC PIP4K2A 796/4885PIP4K2B 1085/4885CHRNA7 3093/4885

“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.