SCHEMBL885809

SCHEMBL885809

CCOC(=O)c1[nH]c(=O)n(C2CCCCC2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRK1 P41145 3/20 0.47
OGFRL1 Q5TC84 3/20 0.47
OPRD1 P41143 2/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 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
SCHEMBL885834 0.83 MEN1 (0.46) OPRM1OPRK1OGFRL1OPRD1DRD2
SCHEMBL4751945 0.83 DRD4 (0.53) OPRM1OPRK1OGFRL1OPRD1DRD2
SCHEMBL885647 0.82 DRD2 (0.42) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL2062664 0.81 RAB9A (0.41) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL8163715 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPOLBHTTCASP3
SCHEMBL885461 0.78 MAT2A (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL885863 0.78 MAPK1 (0.44) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL885803 0.78 PLD1 (0.44) OGFRL1DRD2DRD4DRD3ALDH1A1
SCHEMBL2063353 0.77 SIGMAR1 (0.44) OPRM1OPRK1OGFRL1OPRD1DRD2
SCHEMBL8163754 0.76 OPRM1 (0.49) OPRM1OPRK1OGFRL1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (3 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT OPRM1 1874/4885OPRK1 888/4885OGFRL1 1610/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRM1 3919/4885OPRK1 2640/4885OGFRL1 2785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRM1 3919/4885OPRK1 2640/4885OGFRL1 2785/4885

“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.