SCHEMBL427361

SCHEMBL427361

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
CES2 O00748 1/20 0.52
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
GRIN2B Q13224 7/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TGFBR1 P36897 1/20 0.38
SLC6A9 P48067 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
RORC P51449 1/20 0.38
PDE4B Q07343 1/20 0.37
HDAC3 O15379 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL427369 0.90 FAAH (0.49) FAAHCES2GRIN2BKDM4ETGFBR1
SCHEMBL427732 0.89 FAAH (0.53) FAAHCES2TGFBR1
SCHEMBL14950261 0.89 FAAH (0.53) FAAHCES2GRIN2BKDM4EMEN1
SCHEMBL427871 0.88 FAAH (0.52) FAAHCES2TGFBR1CYP46A1PDE4B
SCHEMBL427868 0.88 FAAH (0.59) FAAHCES2TGFBR1PDE4BGABRA5
SCHEMBL425807 0.88 FAAH (0.65) FAAHCES2GRIN2BKDM4EKMT2A
SCHEMBL424911 0.88 FAAH (0.48) FAAHCES2GRIN2BKDM4ETGFBR1
SCHEMBL427883 0.88 FAAH (0.48) FAAHCES2KDM4ETGFBR1SLC6A9
SCHEMBL426220 0.87 FAAH (0.53) FAAHCES2HDAC1HDAC2TGFBR1
SCHEMBL426156 0.86 FAAH (0.50) FAAHCES2GRIN2BKDM4E

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 463/4885HDAC1 548/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885HDAC1 538/4885

“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.