SCHEMBL4286213

SCHEMBL4286213

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccc(C)nc2C)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
F2RL1 P55085 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL4288654 0.90 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4297031 0.90 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL4285677 0.89 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL13705361 0.89 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL4296767 0.88 HCRTR1 (0.34) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4288973 0.88 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL4285267 0.88 HCRTR1 (0.36) HCRTR1HCRTR2FNTAFNTB
SCHEMBL4282962 0.87 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4284990 0.87 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL4281791 0.87 HCRTR2 (0.33) HCRTR1HCRTR2

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 3136/4885F2RL1 2208/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885F2RL1 2208/4885

“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.