SCHEMBL4367342

SCHEMBL4367342

NC(c1ccccc1)(c1ccccc1)c1cc2ccccc2cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
KCNN4 O15554 2/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
PLAU P00749 1/20 0.40
NPC1 O15118 3/20 0.36
SSTR4 P31391 1/20 0.35
RAB9A P51151 1/20 0.34
HTR3A P46098 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BTK Q06187 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL4370584 0.82 CYP1A2 (0.44) PDPK1KCNN4CYP1A2CYP2A6PLAU
SCHEMBL4372845 0.77 CYP1A2 (0.50) PDPK1CYP1A2CYP2A6PLAUNPC1
SCHEMBL5720524 0.74 CYP1A2 (0.50) PDPK1CYP1A2CYP2A6PLAUNPC1
SCHEMBL5660630 0.72 CYP1A2 (0.48) PDPK1CYP1A2CYP2A6PLAUNPC1
SCHEMBL762341 0.72 CYP1A2 (0.54) PDPK1CYP1A2CYP2A6PLAUNPC1
SCHEMBL5720250 0.72 CYP1A2 (0.48) PDPK1CYP1A2CYP2A6PLAUNPC1
SCHEMBL31391610 0.72 CYP1A2 (0.48) PDPK1CYP1A2CYP2A6PLAUNPC1
Triphenylmethanamine SCHEMBL31146599 0.70 KCNN4 (0.93) KCNN4CYP1A2
SCHEMBL26042691 0.69 CYP1A2 (0.50) PDPK1CYP1A2CYP2A6PLAUNPC1
SCHEMBL5367905 0.68 KCNN4 (0.61) KCNN4CYP1A2CYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 EP 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-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 PDPK1 748/4885KCNN4 4136/4885CYP1A2 111/4885

“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.