SCHEMBL425436

SCHEMBL425436

CN(C(=O)n1cnc(-c2cccc(C(=O)NOCc3ccccc3)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 1/20 0.43
FAAH O00519 2/20 0.43
CES2 O00748 1/20 0.43
CHRM4 P08173 2/20 0.42
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
RIPK1 Q13546 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KMT2A Q03164 2/20 0.41
OPRK1 P41145 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MEN1 O00255 1/20 0.40
CCR3 P51677 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
SCHEMBL14938277 0.94 KDM1A (0.49) KDM1ADRD2DRD4DRD3FAAH
SCHEMBL14937747 0.92 SLC5A7 (0.42) KDM1ADRD2DRD4FAAHCES2
SCHEMBL446158 0.90 DRD2 (0.47) KDM1ADRD2DRD4CHRM4OPRM1
SCHEMBL530727 0.90 FAAH (0.54) FAAHCES2KMT2A
SCHEMBL425287 0.89 HDAC1 (0.52) DRD2DRD4DRD3FAAHCES2
SCHEMBL14937811 0.89 FAAH (0.44) FAAHCES2
SCHEMBL14937999 0.88 FAAH (0.43) FAAHCES2
SCHEMBL14938000 0.88 FAAH (0.43) FAAHCES2
SCHEMBL424816 0.86 DRD2 (0.57) DRD2DRD4DRD3FAAHCES2
SCHEMBL426575 0.86 OPRD1 (0.50) DRD2DRD4DRD3FAAHCES2

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 17 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-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
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
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP 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 KDM1A 482/4885DRD2 1366/4885DRD4 1824/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KDM1A 1476/4885DRD2 1602/4885DRD4 2351/4885

“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.