SCHEMBL527433

SCHEMBL527433

CN(C(=O)n1cnc(-c2cccc(C#N)c2)c1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
CES2 O00748 1/20 0.63
MCOLN3 Q8TDD5 1/20 0.47
USP30 Q70CQ3 2/20 0.43
UCHL1 P09936 1/20 0.43
USP19 O94966 2/20 0.40
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
TRPA1 O75762 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CCR5 P51681 1/20 0.38
MCHR1 Q99705 1/20 0.37
SLC6A7 Q99884 1/20 0.37

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
SCHEMBL14937650 0.99 FAAH (0.61) FAAHCES2MCOLN3USP30UCHL1
SCHEMBL446612 0.89 FAAH (0.61) FAAHCES2USP30USP19MKNK1
SCHEMBL427671 0.87 FAAH (0.55) FAAHCES2USP19CPT2CPT1A
SCHEMBL14937934 0.86 FAAH (0.47) FAAHCES2USP30UCHL1MKNK1
SCHEMBL424383 0.85 FAAH (0.74) FAAHCES2USP19TRPV1TRPA1
SCHEMBL526192 0.85 FAAH (0.67) FAAHCES2USP19TRPV1TRPA1
SCHEMBL425372 0.85 FAAH (0.67) FAAHCES2USP19MKNK1MKNK2
SCHEMBL424585 0.85 FAAH (0.67) FAAHCES2USP19TRPV1TRPA1
SCHEMBL525695 0.84 CHRM4 (0.50) FAAHCES2CCR5MCHR1MLNR
SCHEMBL524996 0.84 FAAH (0.66) FAAHCES2USP19TRPV1TRPA1

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 10 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
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
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP 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
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 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 (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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 FAAH 2166/4885CES2 463/4885MCOLN3 3742/4885

“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.