SCHEMBL426128

SCHEMBL426128

CN(C(=O)n1cnc(-c2ccncc2)c1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.66
CES2 O00748 1/20 0.66
POLB P06746 2/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSP90AA1 P07900 1/20 0.41
USP19 O94966 2/20 0.40
TRPV1 Q8NER1 2/20 0.39
TRPA1 O75762 1/20 0.39
MGLL Q99685 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.38
S1PR1 P21453 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL424383 0.89 FAAH (0.74) FAAHCES2POLBTSHRMEN1
SCHEMBL424140 0.88 FAAH (0.67) FAAHCES2POLBHSP90AA1USP19
SCHEMBL426220 0.88 FAAH (0.53) FAAHCES2SMN1; SMN2HSD11B1
SCHEMBL14950289 0.88 FAAH (0.66) FAAHCES2POLBUSP19TRPV1
SCHEMBL425914 0.88 FAAH (0.66) FAAHCES2POLBTSHRMEN1
SCHEMBL426094 0.87 FAAH (0.66) FAAHCES2POLBHSP90AA1USP19
SCHEMBL425807 0.86 FAAH (0.65) FAAHCES2POLBKMT2AUSP19
SCHEMBL425056 0.86 FAAH (0.65) FAAHCES2POLBTSHRUSP19
SCHEMBL425811 0.86 FAAH (0.65) FAAHCES2POLBTSHRMEN1
SCHEMBL14950186 0.86 FAAH (0.64) FAAHCES2POLBUSP19TRPV1

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 15 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-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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (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 463/4885POLB 1328/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885POLB 2792/4885

“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.