SCHEMBL424902

SCHEMBL424902

CN(C(=O)n1cnc(-c2ccc(OC(F)F)cc2)c1)C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
CES2 O00748 1/20 0.47
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 3/20 0.39
DYRK1A Q13627 2/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 0.36
MMP13 P45452 1/20 0.36
SCN9A Q15858 1/20 0.36
MELK Q14680 1/20 0.36
MCHR1 Q99705 1/20 0.36
TGFBR1 P36897 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL427856 0.90 FAAH (0.58) FAAHCES2KDM4EDYRK1ANPC1
SCHEMBL426156 0.87 FAAH (0.50) FAAHCES2KDM4ENPC1RAB9A
SCHEMBL427361 0.85 FAAH (0.52) FAAHCES2KDM4ETGFBR1
SCHEMBL14950261 0.84 FAAH (0.53) FAAHCES2KDM4ENPC1LMNA
SCHEMBL427732 0.84 FAAH (0.53) FAAHCES2NPC1RAB9AMCHR1
SCHEMBL427871 0.83 FAAH (0.52) FAAHCES2NPC1RAB9AMCHR1
SCHEMBL427868 0.82 FAAH (0.59) FAAHCES2NPC1RAB9ATGFBR1
SCHEMBL427369 0.82 FAAH (0.49) FAAHCES2KDM4EMAPK1TGFBR1
SCHEMBL426220 0.82 FAAH (0.53) FAAHCES2DYRK1AMCHR1TGFBR1
SCHEMBL428114 0.81 CHRM4 (0.46) FAAHCES2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 FAAH 2166/4885CES2 463/4885KDM4E 667/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885KDM4E 1982/4885

“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.