SCHEMBL4284435

SCHEMBL4284435

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(F)cc2OC)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 10/20 0.40
USP19 O94966 8/20 0.38
MCHR1 Q99705 1/20 0.31

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
SCHEMBL4281326 0.97 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4290797 0.94 HCRTR1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4291821 0.94 HCRTR1 (0.38) HCRTR1HCRTR2USP19
SCHEMBL4287688 0.93 HCRTR1 (0.37) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4294065 0.93 HCRTR1 (0.37) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4292754 0.92 HCRTR1 (0.36) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4294268 0.92 USP19 (0.36) HCRTR1HCRTR2USP19MCHR1
SCHEMBL4287174 0.92 HCRTR1 (0.39) HCRTR1HCRTR2USP19
SCHEMBL13705408 0.91 CHEK2 (0.35) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4287152 0.91 MEN1 (0.37) HCRTR1HCRTR2USP19MCHR1

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