SCHEMBL2393581

SCHEMBL2393581

CCN(CC1CCCC1)c1nc(C)ccc1C=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
CRHR1 P34998 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 2/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GBA1 P04062 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2393729 0.86 FFAR2 (0.35) FFAR2CRHR1CNR1CNR2ALDH1A1
SCHEMBL2392414 0.82 ALDH1A1 (0.45) FFAR2CRHR1CNR1CNR2ALDH1A1
SCHEMBL2395175 0.81 CRHR1 (0.36) FFAR2CRHR1CNR1CNR2ALDH1A1
SCHEMBL2393935 0.80 ALDH1A1 (0.45) FFAR2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL3902421 0.79 FFAR2 (0.39) FFAR2CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5623938 0.79 ALDH1A1 (0.46) FFAR2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL4195023 0.77 ALDH1A1 (0.34) FFAR2CRHR1ALDH1A1L3MBTL1EGLN1
SCHEMBL4189946 0.77 ALDH1A1 (0.40) FFAR2CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL2395691 0.77 ALDH1A1 (0.41) CRHR1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL5047938 0.76 RXFP1 (0.38) FFAR2CRHR1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138489-B9 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME KOWA CO (JP) 2012-10-24 EP disclosed
EP-2138489-B1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME KOWA CO (JP) 2012-07-11 EP disclosed
US-8012989-B2 Substituted pyrimidine compounds and their utility as CETP inhibitors KOWA COMPANY, LTD. (JP) 2011-09-06 US disclosed
US-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2010-09-30 US disclosed
US-7790737-B2 Substituted pyrimidine compounds and their utility as CETP inhibitors KOWA COMPANY, LTD. (JP) 2010-09-07 US disclosed
EP-2138489-A1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME Kowa Company. Ltd. (JP) 2009-12-30 EP disclosed
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2009-03-05 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 (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-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 FFAR2 1213/4885CRHR1 2131/4885CNR1 319/4885
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 FFAR2 1213/4885CRHR1 2131/4885CNR1 319/4885

“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.