SCHEMBL428187

SCHEMBL428187

CCN1CCC(N(C)C(=O)n2cnc(-c3cccc(OC)c3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
CES2 O00748 1/20 0.49
WNK1 Q9H4A3 2/20 0.44
CACNA2D1 P54289 1/20 0.44
THRB P10828 1/20 0.44
MCHR1 Q99705 2/20 0.43
CCR5 P51681 1/20 0.42
HPGDS O60760 1/20 0.42
ABL1 P00519 5/20 0.41
EGFR P00533 5/20 0.41
SRC P12931 5/20 0.41
ABL2 P42684 5/20 0.41
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
AVPR1B P47901 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NEK2 P51955 1/20 0.40

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
SCHEMBL427420 0.93 FAAH (0.48) FAAHCES2WNK1CACNA2D1MCHR1
SCHEMBL426170 0.90 FAAH (0.48) FAAHCES2THRBMCHR1CCR5
SCHEMBL428100 0.89 WNK1 (0.53) FAAHCES2WNK1MCHR1CCR5
SCHEMBL427155 0.88 FAAH (0.62) FAAHCES2CACNA2D1THRBMCHR1
SCHEMBL14950257 0.87 FAAH (0.52) FAAHCES2CCR5HPGDS
SCHEMBL424687 0.87 FAAH (0.64) FAAHCES2CACNA2D1THRBMCHR1
SCHEMBL426139 0.86 FAAH (0.51) FAAHCES2CCR5HPGDSOPRM1
SCHEMBL16433293 0.86 FAAH (0.48) FAAHCES2WNK1CACNA2D1MCHR1
SCHEMBL14937997 0.86 NPY5R (0.53) FAAHCES2CACNA2D1MCHR1CCR5
SCHEMBL427891 0.85 FAAH (0.46) FAAHCES2CCR5NEK2

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
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP 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
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO 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 463/4885WNK1 1629/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885WNK1 3082/4885

“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.