SCHEMBL427871

SCHEMBL427871

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
CES2 O00748 1/20 0.52
MCHR1 Q99705 9/20 0.43
CYP2D6 P10635 1/20 0.43
PYGL P06737 1/20 0.39
MAP4K4 O95819 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
TGFBR1 P36897 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IDO1 P14902 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL14950261 0.89 FAAH (0.53) FAAHCES2MCHR1CYP2D6TGFBR1
SCHEMBL427732 0.89 FAAH (0.53) FAAHCES2MCHR1CYP2D6TGFBR1
SCHEMBL427057 0.89 FAAH (0.63) FAAHCES2MCHR1MAP4K4NPC1
SCHEMBL427361 0.88 FAAH (0.52) FAAHCES2CYP46A1TGFBR1PDE4B
SCHEMBL425811 0.88 FAAH (0.65) FAAHCES2MCHR1MAP4K4NPC1
SCHEMBL427868 0.88 FAAH (0.59) FAAHCES2TGFBR1NPC1RAB9A
SCHEMBL427369 0.88 FAAH (0.49) FAAHCES2TGFBR1PDE4B
SCHEMBL426220 0.87 FAAH (0.53) FAAHCES2MCHR1CYP2D6CYP46A1
SCHEMBL426156 0.86 FAAH (0.50) FAAHCES2MCHR1NPC1RAB9A
SCHEMBL424911 0.86 FAAH (0.48) FAAHCES2MCHR1CYP2D6TGFBR1

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 463/4885MCHR1 1489/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885MCHR1 2099/4885

“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.