SCHEMBL4292386

SCHEMBL4292386

Cc1nc2cc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@H]4CCCC[C@@H]4N)c3-c3ccccc3)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.47
HCRTR2 O43614 8/20 0.47
CHEK2 O96017 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL4285853 0.88 HCRTR1 (0.45) HCRTR1HCRTR2CHEK2CYP1A2CYP3A4
SCHEMBL13705417 0.88 HCRTR1 (0.37) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C9
SCHEMBL4284669 0.85 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4281304 0.85 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4432706 0.85 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2CYP1A2CYP3A4
SCHEMBL8117737 0.82 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2CYP1A2CYP3A4
SCHEMBL4285166 0.80 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2
SCHEMBL4284535 0.79 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2
SCHEMBL4284128 0.79 HCRTR1 (0.40) HCRTR1HCRTR2CHEK2
SCHEMBL4287365 0.79 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2

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 3 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
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 3136/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885

“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.