SCHEMBL427435

SCHEMBL427435

CCCN1CCC(N(C)C(=O)n2cnc(-c3ccc(OC)c(F)c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
CES2 O00748 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR5 P51681 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PIK3CD O00329 2/20 0.38
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 1/20 0.37
AVPR1B P47901 1/20 0.37
MAPK1 P28482 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
CTSD P07339 1/20 0.37
PIK3CA P42336 1/20 0.37
HTR2A P28223 1/20 0.36
NTRK1 P04629 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
SCHEMBL427987 0.93 FAAH (0.42) FAAHCES2CD274RPS6KB1AKT1
SCHEMBL426166 0.93 FAAH (0.44) FAAHCES2RPS6KB1AKT1CCR5
SCHEMBL424915 0.93 FAAH (0.44) FAAHCES2CD274RPS6KB1AKT1
SCHEMBL427432 0.92 SMN1; SMN2 (0.45) FAAHCES2SMN1; SMN2NPSR1CCR5
SCHEMBL426210 0.90 HRH3 (0.41) FAAHCES2CD274RPS6KB1AKT1
SCHEMBL427281 0.87 CHRM4 (0.44) FAAHCES2SMN1; SMN2KCNH2HTR2A
SCHEMBL428200 0.87 FAAH (0.46) FAAHCES2CCR5HRH3KMT2A
SCHEMBL427920 0.87 FAAH (0.55) FAAHCES2RPS6KB1AKT1SMN1; SMN2
SCHEMBL428262 0.86 FAAH (0.44) FAAHCES2CCR5KCNH2UBE2M
SCHEMBL16432546 0.86 MCHR1 (0.44) FAAHCES2CCR5KCNH2KMT2A

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 463/4885CD274 4868/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885CD274 4709/4885

“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.