SCHEMBL4281952

SCHEMBL4281952

CCOC(=O)c1nc(C)n([C@H]2CCCC[C@@H]2O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
CYP19A1 P11511 1/20 0.45
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
OGFRL1 Q5TC84 3/20 0.44
OPRD1 P41143 2/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 2/20 0.43
ELANE P08246 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
TARBP2 Q15633 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4281955 1.00 MEN1 (0.47) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL13705070 1.00 MEN1 (0.47) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4281959 1.00 MEN1 (0.47) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4282668 0.82 CYP19A1 (0.45) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL13705063 0.82 CYP19A1 (0.45) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4282663 0.82 CYP19A1 (0.45) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4282660 0.82 CYP19A1 (0.45) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4296722 0.82 CYP19A1 (0.45) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4289350 0.81 CYP19A1 (0.44) MEN1KMT2AGAATSHRCYP19A1
SCHEMBL4289352 0.81 CYP19A1 (0.44) MEN1KMT2AGAATSHRCYP19A1

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 3 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-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 MEN1 1254/4885KMT2A 1049/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MEN1 1254/4885KMT2A 1049/4885GAA 1381/4885

“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.