SCHEMBL4285853

SCHEMBL4285853

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.45
HCRTR2 O43614 7/20 0.45
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
USP19 O94966 2/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL4284669 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4432706 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4281304 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C9
SCHEMBL4292386 0.88 HCRTR1 (0.47) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C9
SCHEMBL4287507 0.88 HCRTR1 (0.39) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4293022 0.85 HCRTR1 (0.37) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4281223 0.85 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4286196 0.85 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4288719 0.82 HCRTR1 (0.42) HCRTR1HCRTR2USP19
SCHEMBL4285549 0.81 HCRTR1 (0.35) HCRTR1HCRTR2CYP1A2CYP3A4CYP2C9

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 3136/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CYP1A2 89/4885

“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.