SCHEMBL4102248

SCHEMBL4102248

CN1C[C@H]2CN(c3cncc(-c4ccc5cc[nH]c5c4)c3)C[C@H]21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.60
PIP4K2A P48426 1/20 0.44
PIP4K2B P78356 1/20 0.44
CHRNA7 P36544 6/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
BRAF P15056 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
SCHEMBL4108271 1.00 KCNH2 (0.60) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4108266 1.00 KCNH2 (0.60) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4102255 1.00 KCNH2 (0.60) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4114880 0.92 KCNH2 (0.70) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4113439 0.92 KCNH2 (0.70) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4114882 0.92 KCNH2 (0.70) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4113432 0.92 KCNH2 (0.70) KCNH2PIP4K2APIP4K2BCHRNA7HRH3
SCHEMBL4109790 0.87 KCNH2 (0.48) KCNH2PIP4K2APIP4K2BCHRNA7
SCHEMBL4114266 0.83 KCNH2 (0.56) KCNH2CHRNA7CHRNB4CHRNA3
SCHEMBL4114261 0.83 KCNH2 (0.56) KCNH2CHRNA7CHRNB4CHRNA3

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 KCNH2 2724/4885PIP4K2A 796/4885PIP4K2B 1085/4885

“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.