SCHEMBL428013

SCHEMBL428013

CN(C(=O)n1cnc(-c2ccc(O)cc2)c1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
CES2 O00748 1/20 0.53
KCNH2 Q12809 3/20 0.39
KIF11 P52732 2/20 0.39
USP7 Q93009 3/20 0.36
ALK Q9UM73 1/20 0.36
FYN P06241 2/20 0.36
MCHR1 Q99705 2/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTOR P42345 1/20 0.34

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
Bromide SCHEMBL16432654 0.99 FAAH (0.52) FAAHCES2KCNH2KIF11USP7
SCHEMBL17828659 0.91 FAAH (0.53) FAAHCES2KCNH2KIF11MCHR1
SCHEMBL427429 0.89 FAAH (0.59) FAAHCES2KCNH2KIF11CHRM1
SCHEMBL427874 0.89 FAAH (0.64) FAAHCES2FYNALDH1A1HPGD
SCHEMBL16433307 0.89 FAAH (0.54) FAAHCES2KCNH2KIF11FYN
SCHEMBL425914 0.88 FAAH (0.66) FAAHCES2FYNALDH1A1HPGD
Bromide SCHEMBL17819169 0.88 FAAH (0.53) FAAHCES2KCNH2KIF11FYN
SCHEMBL17853478 0.87 FAAH (0.50) FAAHCES2KCNH2KIF11MCHR1
SCHEMBL16439301 0.87 FAAH (0.50) FAAHCES2MCHR1KDM4EALDH1A1
SCHEMBL425329 0.87 FAAH (0.50) FAAHCES2MCHR1TLR9TLR7

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
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 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
CN-105593226-A Urea compounds and their use as FAAH enzyme inhibitors BIAL-PORTELA & CA S A 2016-05-18 CN disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885KCNH2 1739/4885
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 FAAH 1/4885CES2 33/4885KCNH2 541/4885

“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.