SCHEMBL4199701

SCHEMBL4199701

CCC(Cc1ccsc1)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
MME P08473 3/20 0.35
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DPP4 P27487 2/20 0.32

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
SCHEMBL6472006 0.80 MME (0.40) DRD2DRD3MMETAAR1OPRM1
SCHEMBL23123157 0.76 SIGMAR1 (0.43) TAAR1OPRK1MEN1KMT2ASLC6A2
SCHEMBL28051807 0.75 DRD2 (0.37) DRD2DRD3MMETAAR1OPRM1
SCHEMBL13634509 0.71 DRD2 (0.44) DRD2DRD3MMETAAR1OPRM1
SCHEMBL4218065 0.71 CYP2C19 (0.45) DRD2DRD3TAAR1ALDH1A1TRPM8
SCHEMBL14140173 0.70 DRD2 (0.43) DRD2DRD3MMETAAR1OPRM1
SCHEMBL6715395 0.70 DRD2 (0.43) DRD2DRD3MMETAAR1OPRM1
SCHEMBL4205089 0.68 DRD2 (0.42) DRD2DRD3MMETAAR1OPRM1
SCHEMBL5784705 0.68 DRD2 (0.42) DRD2DRD3MMETAAR1OPRM1
SCHEMBL22604467 0.68 DRD2 (0.42) DRD2DRD3MMETAAR1OPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 WO disclosed
WO-2007023281-A2 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2007-03-01 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 (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-20090131502-A1 Biologically active compounds COLGALT1, SOST, COL1A1 DRD2 4878/4885DRD3 4763/4885MME 1131/4885

“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.