SCHEMBL4284170

SCHEMBL4284170

COc1c(F)cccc1NCC[C@@H]1CNCCN1C(=O)c1ncn([C@H]2CCCC[C@@H]2NC(=O)O)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.36
HCRTR1 O43613 3/20 0.34
ACP1 P24666 4/20 0.32
TTK P33981 1/20 0.31
OPRK1 P41145 1/20 0.31
REN P00797 1/20 0.31
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31
METAP2 P50579 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
SCHEMBL13705404 0.97 HCRTR2 (0.36) HCRTR2HCRTR1ACP1OPRK1METAP2
SCHEMBL4287187 0.91 HCRTR1 (0.35) HCRTR2HCRTR1ACP1TTKGUCY1B2
SCHEMBL4289944 0.91 HCRTR1 (0.35) HCRTR2HCRTR1ACP1TTKGUCY1B2
SCHEMBL4286271 0.89 HCRTR1 (0.35) HCRTR2HCRTR1ACP1TTK
SCHEMBL4287378 0.89 HCRTR1 (0.36) HCRTR2HCRTR1ACP1
SCHEMBL4295796 0.88 HCRTR2 (0.40) HCRTR2HCRTR1OPRK1REN
SCHEMBL13705480 0.88 HCRTR1 (0.34) HCRTR2HCRTR1ACP1GUCY1B2GUCY1A2
SCHEMBL13705438 0.87 HCRTR1 (0.34) HCRTR2HCRTR1ACP1TTK
SCHEMBL4281717 0.87 HCRTR1 (0.34) HCRTR2HCRTR1ACP1
SCHEMBL4281523 0.86 HCRTR1 (0.35) HCRTR2HCRTR1ACP1

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