SCHEMBL4379933

SCHEMBL4379933

CC(N)(c1ccccc1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNN4 O15554 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
SCHEMBL1649314 1.00 CHRM2 (0.47) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6
SCHEMBL1921572 0.87 SMN1; SMN2 (0.54) CHRM2SMN1; SMN2L3MBTL1BLMTDP1
Hydrochloric Acid SCHEMBL15353020 0.85 SMN1; SMN2 (0.52) CHRM2SMN1; SMN2L3MBTL1BLMTDP1
SCHEMBL1473740 0.82 SRD5A2 (0.42) SMN1; SMN2L3MBTL1BLMCYP2D6SLC22A2
SCHEMBL8392798 0.81 SMN1; SMN2 (0.52) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6
SCHEMBL29496697 0.79 SMN1; SMN2 (0.47) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6
SCHEMBL4370209 0.79 KCNN4 (0.54) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6
SCHEMBL5609255 0.79 KCNN4 (0.54) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6
SCHEMBL7894827 0.79 SMN1; SMN2 (0.50) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6
SCHEMBL2694787 0.79 CHRM2 (0.54) CHRM2SMN1; SMN2L3MBTL1BLMCYP2D6

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 8 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
EP-1343497-A4 $g(D)?2 ,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES INC (US) 2005-01-26 EP disclosed
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2004-04-15 US disclosed
EP-1343497-A1 $g(D)?2 ,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K and K Biosciences, Inc. (US) 2003-09-17 EP disclosed
WO-2002036119-A1 Δ2,-1,2,3-TRIAZOLINE ANTICONVULSANTS AND THEIR ACTIVE METABOLITE ANALOGUES, THE AMINOALKYLPYRIDINES, ARE EXCITATORY AMINO ACID ANTAGONISTS AND ANTIISCHEMIC AGENTS, USEFUL IN THE TREATMENT OF CEREBRAL ISCHEMIA RESULTING FROM STROKE K AND K BIOSCIENCES, INC. (US) 2002-05-10 WO 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 (2 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 CHRM2 828/4885SMN1; SMN2 4694/4885L3MBTL1 2200/4885
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C CHRM2 59/4885SMN1; SMN2 2473/4885L3MBTL1 1507/4885

“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.