SCHEMBL4286503

SCHEMBL4286503

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cccc3sccc23)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 5/20 0.38
OPRM1 P35372 3/20 0.35
OPRK1 P41145 3/20 0.35
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13705446 0.95 HCRTR1 (0.36) HCRTR1HCRTR2OPRM1OPRK1
SCHEMBL4295398 0.87 HCRTR1 (0.42) HCRTR1HCRTR2OPRK1KDM4EALDH1A1
SCHEMBL4288806 0.87 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4282750 0.87 HCRTR1 (0.37) HCRTR1HCRTR2KDM4EALDH1A1TDP1
SCHEMBL4293415 0.86 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1
SCHEMBL4281702 0.86 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4295796 0.85 HCRTR2 (0.40) HCRTR1HCRTR2OPRK1
SCHEMBL4292999 0.84 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL4287718 0.83 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL4281285 0.83 HCRTR1 (0.43) HCRTR1HCRTR2KDM4EALDH1A1TDP1

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 HCRTR1 3147/4885HCRTR2 3136/4885OPRM1 3919/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885OPRM1 3919/4885

“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.