SCHEMBL426011

SCHEMBL426011

CN(C(=O)n1cnc(-c2ccc(Cl)cc2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.50
DRD4 P21917 4/20 0.50
DRD3 P35462 4/20 0.50
CHRM2 P08172 3/20 0.49
CHRM3 P20309 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR2B P41595 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
FAAH O00519 2/20 0.48
CES2 O00748 1/20 0.48
CHRM4 P08173 2/20 0.48
KCNH2 Q12809 1/20 0.47
CCR5 P51681 1/20 0.45

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
SCHEMBL424816 0.94 DRD2 (0.57) DRD2DRD4DRD3CHRM2CHRM3
SCHEMBL14950181 0.92 DRD2 (0.50) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL428152 0.92 DRD2 (0.50) DRD2DRD4DRD3CHRM2CHRM3
SCHEMBL427522 0.91 DRD2 (0.49) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL427768 0.91 OPRM1 (0.53) DRD2DRD4DRD3CHRM2HTR2A
SCHEMBL427265 0.91 DRD2 (0.47) DRD2DRD4DRD3CHRM2CHRM3
SCHEMBL427261 0.89 CHRM2 (0.53) DRD2DRD4DRD3CHRM2CHRM3
SCHEMBL426100 0.89 DRD2 (0.47) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL426140 0.89 DRD2 (0.45) DRD2DRD4DRD3HTR2AHTR2C
SCHEMBL425036 0.89 KCNH2 (0.50) DRD2DRD4DRD3HTR2AHTR2C

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 DRD2 1366/4885DRD4 1824/4885DRD3 1303/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 DRD2 1602/4885DRD4 2351/4885DRD3 1627/4885

“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.