SCHEMBL4281804

SCHEMBL4281804

COc1cccc([C@@H]2OC(=O)[C@@H]3CNC[C@H](Cc4ccccc4)N32)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CMA1 P23946 1/20 0.38
GRM5 P41594 1/20 0.37
EED O75530 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOB P27338 1/20 0.37
ABCB1 P08183 1/20 0.37
AR P10275 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
HTR2C P28335 1/20 0.37
KDM1A O60341 1/20 0.36

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
SCHEMBL18114460 0.69 SIGMAR1 (0.48) CMA1EED
SCHEMBL18127265 0.67 HCRTR1 (0.50) LMNAMAPTHTTCMA1
SCHEMBL20543927 0.66 DDB1 (0.43) NR3C1NR3C2LMNAMAPTHTT
SCHEMBL20543884 0.66 DDB1 (0.43) NR3C1NR3C2LMNAMAPTHTT
SCHEMBL2975786 0.64 SLC6A2 (0.46) CYP19A1
SCHEMBL18114380 0.64 SIGMAR1 (0.47) CMA1
SCHEMBL18012011 0.64 CYP19A1 (0.43) LMNAMAPTHTTGRM5CYP19A1
SCHEMBL18127390 0.63 REN (0.47) LMNAMAPTMAOB
SCHEMBL22667384 0.63 HTR2C (0.70) HTR2C
SCHEMBL17186412 0.63 FAAH (0.48) MAPT

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 2 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

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 NR3C1 525/4885NR3C2 24/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NR3C1 525/4885NR3C2 24/4885LMNA 1785/4885

“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.