SCHEMBL4295567

SCHEMBL4295567

Cc1ccc(OCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.37
HCRTR2 O43614 13/20 0.37
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 1/20 0.34
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13705447 0.95 HCRTR1 (0.35) HCRTR1HCRTR2KDM4EGAATDP1
SCHEMBL4291121 0.93 HCRTR1 (0.41) HCRTR1HCRTR2CHRM3
SCHEMBL4288875 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL13705455 0.89 HCRTR1 (0.38) HCRTR1HCRTR2CHRM3
SCHEMBL4283410 0.89 HCRTR1 (0.36) HCRTR1HCRTR2HTR2CCHRM3
SCHEMBL4284587 0.89 HCRTR1 (0.43) HCRTR1HCRTR2CHRM3
SCHEMBL4282750 0.89 HCRTR1 (0.37) HCRTR1HCRTR2KDM4EGAATDP1
SCHEMBL4293877 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL4292999 0.89 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL4281556 0.89 HCRTR1 (0.42) HCRTR1HCRTR2HTR2CCHRM3

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 3136/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885KDM4E 760/4885

“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.