SCHEMBL4294427

SCHEMBL4294427

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 11/20 0.48
OPRM1 P35372 10/20 0.48
OPRK1 P41145 10/20 0.48
OPRD1 P41143 8/20 0.48
OPRL1 P41146 2/20 0.45
MDM2 Q00987 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
CNR1 P21554 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4281769 0.83 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL4291351 0.79 OGFRL1 (0.44) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL4819129 0.78 OGFRL1 (0.43) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL5014189 0.72 GAA (0.44) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL3494784 0.70 OGFRL1 (0.44) OGFRL1OPRM1OPRK1MDM2GAA
SCHEMBL4284918 0.69 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL885834 0.69 MEN1 (0.46) OGFRL1OPRM1OPRK1OPRD1GAA
SCHEMBL5014105 0.68 GAA (0.42) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL5013554 0.68 GAA (0.42) GAAALOX15CNR1HCAR1MEN1
SCHEMBL1128699 0.67 TP53 (0.56) OGFRL1OPRM1OPRK1OPRD1OPRL1

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.