SCHEMBL4120175

SCHEMBL4120175

CN1C[C@H]2CN(c3cncc(-c4ccc5[nH]ccc5c4)c3)[C@@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.49
KCNH2 Q12809 5/20 0.48
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
LRRK2 Q5S007 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
FYN P06241 1/20 0.40
GRM1 Q13255 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 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
SCHEMBL4120169 1.00 CHRNA7 (0.49) CHRNA7KCNH2PIP4K2APIP4K2BLRRK2
SCHEMBL4117768 0.92 PIP4K2A (0.44) CHRNA7KCNH2PIP4K2APIP4K2BHRH3
SCHEMBL4117772 0.92 PIP4K2A (0.44) CHRNA7KCNH2PIP4K2APIP4K2BHRH3
SCHEMBL4102303 0.92 HRH3 (0.51) CHRNA7KCNH2PIP4K2APIP4K2BHRH3
SCHEMBL4114755 0.88 PIP4K2A (0.41) CHRNA7KCNH2PIP4K2APIP4K2BHRH3
SCHEMBL4103059 0.84 HRH3 (0.52) CHRNA7KCNH2PIP4K2APIP4K2BHRH3
SCHEMBL4103670 0.83 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL927667 0.83 KCNH2 (0.67) CHRNA7KCNH2LRRK2HRH3FYN
SCHEMBL927665 0.83 KCNH2 (0.67) CHRNA7KCNH2LRRK2HRH3FYN
SCHEMBL4113432 0.80 KCNH2 (0.70) CHRNA7KCNH2PIP4K2APIP4K2BLRRK2

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 CHRNA7 3093/4885KCNH2 2724/4885PIP4K2A 796/4885

“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.