SCHEMBL4285289

SCHEMBL4285289

Cc1nc2cc(OCC[C@@H]3CNCCN3C(=O)c3ncn([C@@H]4CCCC[C@@]4(O)CC4CC4)c3-c3ccccc3)ccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
AVPR1B P47901 2/20 0.33
RAB9A P51151 1/20 0.32
CHEK2 O96017 1/20 0.32
USP19 O94966 2/20 0.32
PADI4 Q9UM07 2/20 0.32
MAPT P10636 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
SCHEMBL4293851 0.93 HCRTR1 (0.38) HCRTR1HCRTR2AVPR1BRAB9ACHEK2
SCHEMBL4287118 0.88 HCRTR1 (0.38) HCRTR1HCRTR2AVPR1BRAB9ACHEK2
SCHEMBL4294404 0.85 HCRTR1 (0.35) HCRTR1HCRTR2AVPR1BCHEK2USP19
SCHEMBL4285530 0.84 DRD2 (0.38) HCRTR1HCRTR2
SCHEMBL4285484 0.84 HCRTR1 (0.38) HCRTR1HCRTR2RAB9ACHEK2USP19
SCHEMBL4283836 0.83 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2USP19
SCHEMBL4287530 0.83 MAOA (0.37)
SCHEMBL4285285 0.83 KDM1A (0.35) HCRTR1HCRTR2AVPR1BCHEK2USP19
SCHEMBL4288589 0.82 CPT1A (0.37) HCRTR1HCRTR2USP19
SCHEMBL4297253 0.82 USP19 (0.33) HCRTR1HCRTR2USP19

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 4 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-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 3136/4885AVPR1B 129/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885AVPR1B 129/4885

“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.