SCHEMBL4281769

SCHEMBL4281769

CCOC(=O)c1nc(Cl)n(C2CCCCC2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 5/20 0.53
OPRM1 P35372 4/20 0.53
OPRK1 P41145 4/20 0.53
OPRD1 P41143 3/20 0.53
CYP19A1 P11511 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRK6 P43250 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL4284918 0.87 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1CYP19A1
SCHEMBL4294427 0.83 OGFRL1 (0.48) OGFRL1OPRM1OPRK1OPRD1MEN1
SCHEMBL3494358 0.79 ALDH1A1 (0.54) CYP19A1GAANPSR1CYP3A4CYP2C9
SCHEMBL4281955 0.78 MEN1 (0.47) OGFRL1OPRM1OPRK1OPRD1CYP19A1
SCHEMBL13705070 0.78 MEN1 (0.47) OGFRL1OPRM1OPRK1OPRD1CYP19A1
SCHEMBL4281959 0.78 MEN1 (0.47) OGFRL1OPRM1OPRK1OPRD1CYP19A1
SCHEMBL4281952 0.78 MEN1 (0.47) OGFRL1OPRM1OPRK1OPRD1CYP19A1
SCHEMBL4291351 0.76 OGFRL1 (0.44) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL885809 0.74 OPRM1 (0.47) OGFRL1OPRM1OPRK1OPRD1MEN1
SCHEMBL9894423 0.73 MAPT (0.54) OGFRL1OPRM1OPRK1OPRD1MEN1

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
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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

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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OGFRL1 2785/4885OPRM1 3919/4885OPRK1 2640/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OGFRL1 2785/4885OPRM1 3919/4885OPRK1 2640/4885

“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.