SCHEMBL428114

SCHEMBL428114

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 5/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
KCNH2 Q12809 1/20 0.44
GMNN O75496 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
PMP22 Q01453 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
FAAH O00519 3/20 0.44
CES2 O00748 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL427261 0.89 CHRM2 (0.53) CHRM4KMT2ADRD2DRD4DRD3
SCHEMBL424822 0.88 RAB9A (0.51) KMT2ADRD2DRD4DRD3ALDH1A1
SCHEMBL424816 0.88 DRD2 (0.57) CHRM4DRD2DRD4DRD3KCNH2
SCHEMBL427768 0.87 OPRM1 (0.53) CHRM4KMT2ADRD2DRD4DRD3
SCHEMBL426011 0.86 DRD2 (0.50) CHRM4DRD2DRD4DRD3KCNH2
SCHEMBL428152 0.86 DRD2 (0.50) CHRM4DRD2DRD4DRD3KCNH2
SCHEMBL14950181 0.86 DRD2 (0.50) CHRM4DRD2DRD4DRD3KCNH2
SCHEMBL427522 0.85 DRD2 (0.49) CHRM4DRD2DRD4DRD3KCNH2
SCHEMBL427265 0.85 DRD2 (0.47) CHRM4KMT2ADRD2DRD4DRD3
SCHEMBL426100 0.84 DRD2 (0.47) CHRM4DRD2DRD4DRD3KCNH2

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 13 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

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 CHRM4 525/4885KMT2A 632/4885DRD2 1366/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 CHRM4 2063/4885KMT2A 2067/4885DRD2 1602/4885

“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.