SCHEMBL4281493

SCHEMBL4281493

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cccc(Cl)c2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
USP19 O94966 3/20 0.36
AVPR1B P47901 1/20 0.35
HRH3 Q9Y5N1 4/20 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
SCHEMBL4281482 0.94 HCRTR1 (0.39) KDM4EALDH1A1HCRTR1HCRTR2USP19
SCHEMBL4290851 0.94 USP19 (0.37) ALDH1A1HCRTR1HCRTR2USP19HRH3
SCHEMBL4287621 0.93 HCRTR1 (0.41) HCRTR1HCRTR2USP19
SCHEMBL4288893 0.93 USP19 (0.36) ALDH1A1HCRTR1HCRTR2USP19HRH3
SCHEMBL4281907 0.93 HCRTR1 (0.40) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4282670 0.93 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4295402 0.92 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL13705381 0.92 HCRTR1 (0.38) ALDH1A1HCRTR1HCRTR2USP19
SCHEMBL4284595 0.92 NPC1 (0.41) KDM4EALDH1A1HCRTR1HCRTR2USP19
SCHEMBL4283819 0.91 HCRTR1 (0.37) ALDH1A1HCRTR1HCRTR2USP19

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 KDM4E 760/4885ALDH1A1 388/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885HCRTR1 3147/4885

“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.