SCHEMBL428100

SCHEMBL428100

COc1cccc(-c2cn(C(=O)N(C)C3CCN(Cc4ccccc4)CC3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 3/20 0.53
SIGMAR1 Q99720 3/20 0.49
CCR5 P51681 1/20 0.48
ACHE P22303 1/20 0.48
DRD2 P14416 3/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCHR1 Q99705 1/20 0.47
FAAH O00519 1/20 0.47
CES2 O00748 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 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
SCHEMBL14937606 0.92 KDM4E (0.51) WNK1SIGMAR1CCR5DRD2DRD4
SCHEMBL427261 0.92 CHRM2 (0.53) SIGMAR1ACHEDRD2DRD4DRD3
SCHEMBL424816 0.91 DRD2 (0.57) SIGMAR1DRD2DRD4DRD3FAAH
SCHEMBL16432112 0.90 KDM4E (0.46) WNK1SIGMAR1CCR5DRD2DRD4
SCHEMBL16439290 0.89 OPRM1 (0.46) WNK1CCR5DRD4LMNAALDH1A1
SCHEMBL17828654 0.89 FAAH (0.45) WNK1SIGMAR1DRD2DRD4DRD3
SCHEMBL17819173 0.89 KDM4E (0.51) SIGMAR1CCR5LMNAALDH1A1MAPT
SCHEMBL428187 0.89 FAAH (0.49) WNK1CCR5MCHR1FAAHCES2
SCHEMBL16439374 0.89 FAAH (0.44) WNK1SIGMAR1CCR5DRD2DRD4
SCHEMBL17828658 0.89 KDM4E (0.50) SIGMAR1CCR5DRD4LMNAALDH1A1

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 10 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

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 WNK1 1629/4885SIGMAR1 347/4885CCR5 3737/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 WNK1 3082/4885SIGMAR1 2636/4885CCR5 1633/4885

“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.