SCHEMBL427261

SCHEMBL427261

COc1ccc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53
ACHE P22303 3/20 0.50
FAAH O00519 2/20 0.50
OPRM1 P35372 1/20 0.50
KMT2A Q03164 1/20 0.49
BCHE P06276 1/20 0.49
MCHR1 Q99705 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
CHRM4 P08173 4/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CES2 O00748 1/20 0.46

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
SCHEMBL428100 0.92 WNK1 (0.53) CHRM2CHRM3ACHEFAAHOPRM1
SCHEMBL424822 0.92 RAB9A (0.51) KMT2ASIGMAR1DRD2DRD4DRD3
SCHEMBL424816 0.91 DRD2 (0.57) CHRM2CHRM3FAAHOPRM1SIGMAR1
SCHEMBL426013 0.90 KDM4E (0.49) SIGMAR1DRD2DRD4DRD3
SCHEMBL17819173 0.90 KDM4E (0.51) KMT2AMCHR1SIGMAR1CHRM4
SCHEMBL428152 0.89 DRD2 (0.50) CHRM2CHRM3FAAHOPRM1SIGMAR1
SCHEMBL14950181 0.89 DRD2 (0.50) FAAHOPRM1MCHR1SIGMAR1CHRM4
SCHEMBL426011 0.89 DRD2 (0.50) CHRM2CHRM3FAAHSIGMAR1CHRM4
SCHEMBL428114 0.89 CHRM4 (0.46) CHRM2CHRM3ACHEFAAHKMT2A
SCHEMBL427522 0.89 DRD2 (0.49) FAAHOPRM1SIGMAR1CHRM4DRD2

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 14 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
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
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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 CHRM2 57/4885CHRM3 610/4885ACHE 535/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 CHRM2 2310/4885CHRM3 1365/4885ACHE 167/4885

“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.