SCHEMBL426169

SCHEMBL426169

CCCN1CCC(N(C)C(=O)n2cnc(-c3ccc[n+]([O-])c3)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.75
CES2 O00748 1/20 0.75
KCNH2 Q12809 2/20 0.36
USP19 O94966 1/20 0.36
CCR5 P51681 5/20 0.36
POLB P06746 1/20 0.34
UBE2M P61081 4/20 0.34
DCUN1D1 Q96GG9 4/20 0.34
TP53 P04637 1/20 0.34
MCHR1 Q99705 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL426088 0.88 FAAH (0.72) FAAHCES2KCNH2
SCHEMBL426010 0.86 FAAH (0.98) FAAHCES2USP19POLBHSP90AA1
SCHEMBL427970 0.86 FAAH (1.00) FAAHCES2USP19POLBHSP90AA1
SCHEMBL427437 0.85 FAAH (0.83) FAAHCES2USP19HSP90AA1
SCHEMBL426101 0.84 FAAH (0.81) FAAHCES2USP19MCHR1HSP90AA1
SCHEMBL424977 0.83 FAAH (0.50) FAAHCES2CCR5UBE2MDCUN1D1
SCHEMBL425070 0.83 FAAH (0.50) FAAHCES2
SCHEMBL14950179 0.83 FAAH (0.50) FAAHCES2KCNH2CCR5UBE2M
SCHEMBL427909 0.82 FAAH (0.49) FAAHCES2KCNH2USP19CCR5
SCHEMBL14938037 0.82 FAAH (0.49) FAAHCES2KCNH2USP19CCR5

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 7 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-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-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 463/4885KCNH2 840/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885KCNH2 1739/4885

“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.