SCHEMBL4286126

SCHEMBL4286126

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2c(F)cccc2OC)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.37
HCRTR1 O43613 8/20 0.37
USP19 O94966 5/20 0.35

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
SCHEMBL13705566 0.95 HCRTR2 (0.37) HCRTR2HCRTR1USP19
SCHEMBL4287525 0.95 HCRTR2 (0.37) HCRTR2HCRTR1USP19
SCHEMBL4287174 0.93 HCRTR1 (0.39) HCRTR2HCRTR1USP19
Hydrochloric Acid SCHEMBL4283888 0.92 USP19 (0.35) HCRTR2HCRTR1USP19
SCHEMBL4290797 0.92 HCRTR1 (0.36) HCRTR2HCRTR1USP19
SCHEMBL4284435 0.90 HCRTR1 (0.40) HCRTR2HCRTR1USP19
SCHEMBL4281326 0.90 HCRTR1 (0.40) HCRTR2HCRTR1USP19
Hydrochloric Acid SCHEMBL4289967 0.89 USP19 (0.36) HCRTR2HCRTR1USP19
SCHEMBL4285534 0.89 HCRTR1 (0.48) HCRTR2HCRTR1USP19
SCHEMBL4291821 0.89 HCRTR1 (0.38) HCRTR2HCRTR1USP19

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 HCRTR2 3136/4885HCRTR1 3147/4885USP19 1993/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR2 3136/4885HCRTR1 3147/4885USP19 1993/4885

“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.