SCHEMBL13705441

SCHEMBL13705441

COc1cccc(NCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)OC(C)C)c2-c2ccccc2)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
ACP1 P24666 1/20 0.31
DYRK1A Q13627 1/20 0.30
USP19 O94966 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
SCHEMBL13705480 0.95 HCRTR1 (0.34) HCRTR1HCRTR2ACP1DYRK1AUSP19
SCHEMBL13705439 0.93 HCRTR1 (0.32) HCRTR1HCRTR2ACP1
SCHEMBL4287187 0.93 HCRTR1 (0.35) HCRTR1HCRTR2ACP1DYRK1AUSP19
SCHEMBL4289944 0.93 HCRTR1 (0.35) HCRTR1HCRTR2ACP1DYRK1AUSP19
SCHEMBL13705442 0.92 HCRTR1 (0.32) HCRTR1HCRTR2ACP1DYRK1AUSP19
SCHEMBL13705438 0.88 HCRTR1 (0.34) HCRTR1HCRTR2ACP1USP19
SCHEMBL4286271 0.87 HCRTR1 (0.35) HCRTR1HCRTR2ACP1USP19
SCHEMBL4753383 0.87 CHRM3 (0.32) HCRTR1HCRTR2ACP1USP19
SCHEMBL13705404 0.86 HCRTR2 (0.36) HCRTR1HCRTR2ACP1
SCHEMBL13705437 0.86 ACP1 (0.33) HCRTR1HCRTR2ACP1

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 3136/4885ACP1 3629/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885ACP1 3629/4885

“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.