SCHEMBL4281482

SCHEMBL4281482

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
USP19 O94966 4/20 0.39
TRPV1 Q8NER1 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL4290851 0.96 USP19 (0.37) HCRTR1HCRTR2USP19HRH3ALDH1A1
SCHEMBL4288893 0.95 USP19 (0.36) HCRTR1HCRTR2USP19HRH3ALDH1A1
SCHEMBL4287621 0.95 HCRTR1 (0.41) HCRTR1HCRTR2USP19
SCHEMBL4281829 0.94 HCRTR1 (0.41) HCRTR1HCRTR2USP19TRPV1
Hydrochloric Acid SCHEMBL4282670 0.94 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL13705381 0.94 HCRTR1 (0.38) HCRTR1HCRTR2USP19ALDH1A1
SCHEMBL4295402 0.94 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4281493 0.94 KDM4E (0.37) HCRTR1HCRTR2USP19HRH3KDM4E
Hydrochloric Acid SCHEMBL4286716 0.93 HCRTR1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4284595 0.93 NPC1 (0.41) HCRTR1HCRTR2USP19KDM4EALDH1A1

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 3136/4885USP19 1993/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885USP19 1993/4885

“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.