SCHEMBL424915

SCHEMBL424915

CCN1CCC(N(C)C(=O)n2cnc(-c3ccc(OC)c(F)c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CES2 O00748 1/20 0.44
HRH3 Q9Y5N1 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CA P42336 1/20 0.38
HTR2A P28223 2/20 0.37
SIK1 P57059 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
SIK3 Q9Y2K2 1/20 0.37
MTOR P42345 1/20 0.37
QPCT Q16769 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL427435 0.93 FAAH (0.42) FAAHCES2HRH3CD274UBE2M
SCHEMBL427493 0.93 FAAH (0.46) FAAHCES2RPS6KB1AKT1SIK1
SCHEMBL427891 0.92 FAAH (0.46) FAAHCES2SIK1SIK2SIK3
SCHEMBL427987 0.91 FAAH (0.42) FAAHCES2HRH3CD274RPS6KB1
SCHEMBL427281 0.89 CHRM4 (0.44) FAAHCES2HTR2AALDH1A1MAPT
SCHEMBL427920 0.88 FAAH (0.55) FAAHCES2RPS6KB1AKT1PIK3CA
SCHEMBL426210 0.88 HRH3 (0.41) FAAHCES2HRH3CD274RPS6KB1
SCHEMBL16432546 0.88 MCHR1 (0.44) FAAHCES2HTR2AQPCTRAB9A
SCHEMBL426209 0.88 FAAH (0.46) FAAHCES2HRH3PIK3CAHTR2A
SCHEMBL425833 0.88 FAAH (0.56) FAAHCES2RPS6KB1AKT1PIK3CA

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 463/4885HRH3 37/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885HRH3 95/4885

“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.