SCHEMBL14937809

SCHEMBL14937809

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CCR8 P51685 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
FAAH O00519 2/20 0.42
CES2 O00748 1/20 0.42
WNK1 Q9H4A3 1/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41

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 0.88 KDM4E (0.51) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL428100 0.88 WNK1 (0.53) MCHR1DRD2DRD4DRD3SIGMAR1
SCHEMBL424816 0.85 DRD2 (0.57) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL14950287 0.85 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL17828654 0.84 FAAH (0.45) DRD2DRD4DRD3SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL17819165 0.83 FAAH (0.45) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL16439270 0.83 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL427189 0.82 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1HTR2A
Bromide SCHEMBL17819160 0.82 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1HTR2A
SCHEMBL425027 0.82 DRD2 (0.49) DRD2DRD4DRD3SIGMAR1HTR2A

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MCHR1 1489/4885DRD2 1366/4885DRD4 1824/4885

“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.