SCHEMBL4372873

SCHEMBL4372873

CC(N)(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CYP1A2 P05177 1/20 0.42
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AHR P35869 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SSTR4 P31391 1/20 0.38
MGAM O43451 1/20 0.38
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
KCNN4 O15554 1/20 0.35

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
SCHEMBL28783629 0.81 CYP1A2 (0.45) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL4379432 0.81 KCNN4 (0.48) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL4379182 0.81 NCF1 (0.48) NCF1NOS2BACE1CYP1A2AKT1
SCHEMBL16140171 0.79 AHR (0.43) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL17490348 0.79 AHR (0.46) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL28919631 0.77 NCF1 (0.43) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL30824476 0.77 CYP1A2 (0.52) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL762342 0.77 CYP1A2 (0.52) NCF1NOS2BACE1CYP1A2AHR
SCHEMBL28623257 0.76 MGAM (0.47) NCF1NOS2BACE1CYP1A2SSTR4
SCHEMBL30771873 0.76 MGAM (0.47) NCF1NOS2BACE1CYP1A2SSTR4

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 NCF1 2369/4885NOS2 1000/4885BACE1 2142/4885

“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.