SCHEMBL14937650

SCHEMBL14937650

CN(C(=O)n1cnc(-c2cccc(C#N)c2)c1)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.61
CES2 O00748 1/20 0.61
MCOLN3 Q8TDD5 1/20 0.45
USP30 Q70CQ3 2/20 0.44
UCHL1 P09936 1/20 0.44
USP19 O94966 2/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CCR5 P51681 1/20 0.38
SLC6A7 Q99884 1/20 0.38
MCHR1 Q99705 1/20 0.38
MLNR O43193 1/20 0.38
LRRK2 Q5S007 1/20 0.37
F11 P03951 1/20 0.37
KDM1A O60341 1/20 0.37
NPY5R Q15761 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
SCHEMBL527433 0.99 FAAH (0.63) FAAHCES2MCOLN3USP30UCHL1
SCHEMBL446612 0.88 FAAH (0.61) FAAHCES2USP30USP19MKNK1
SCHEMBL14937934 0.86 FAAH (0.47) FAAHCES2USP30UCHL1MKNK1
SCHEMBL427671 0.86 FAAH (0.55) FAAHCES2USP19CPT2CPT1A
SCHEMBL525695 0.85 CHRM4 (0.50) FAAHCES2CCR5MCHR1MLNR
SCHEMBL14950284 0.84 FAAH (0.66) FAAHCES2USP19
SCHEMBL427830 0.84 FAAH (0.66) FAAHCES2USP19MKNK1MKNK2
SCHEMBL424383 0.84 FAAH (0.74) FAAHCES2USP19
SCHEMBL15554007 0.84 FAAH (0.64) FAAHCES2USP19
SCHEMBL526192 0.84 FAAH (0.67) FAAHCES2USP19

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-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
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

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.