SCHEMBL4285285

SCHEMBL4285285

O=C(c1ncn([C@@H]2CCCC[C@@]2(O)CC2CC2)c1-c1ccccc1)N1CCNC[C@H]1CCOc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
CHEK2 O96017 1/20 0.33
USP19 O94966 5/20 0.32
AVPR1B P47901 1/20 0.31
ENPP2 Q13822 1/20 0.31
ATXN2 Q99700 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL4285740 0.92 USP19 (0.35) KDM1AHCRTR1HCRTR2CHEK2USP19
SCHEMBL4287118 0.87 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2USP19AVPR1B
SCHEMBL4294404 0.86 HCRTR1 (0.35) HCRTR1HCRTR2CHEK2USP19AVPR1B
SCHEMBL4288589 0.86 CPT1A (0.37) HCRTR1HCRTR2USP19
SCHEMBL4285530 0.85 DRD2 (0.38) KDM1AHCRTR1HCRTR2
SCHEMBL4287530 0.85 MAOA (0.37)
SCHEMBL4285289 0.83 HCRTR1 (0.38) HCRTR1HCRTR2CHEK2USP19AVPR1B
SCHEMBL4297253 0.82 USP19 (0.33) HCRTR1HCRTR2USP19
SCHEMBL4285083 0.81 HCRTR1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4285615 0.81 HCRTR1 (0.34) 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 5 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-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 KDM1A 661/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM1A 661/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.