SCHEMBL4284595

SCHEMBL4284595

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 5/20 0.38
HCRTR2 O43614 5/20 0.38
USP19 O94966 5/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
CHEK2 O96017 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL13705381 0.95 HCRTR1 (0.38) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4283819 0.94 HCRTR1 (0.37) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4290851 0.93 USP19 (0.37) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4294053 0.93 HCRTR1 (0.40) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4281482 0.93 HCRTR1 (0.39) HCRTR1HCRTR2USP19ALDH1A1KDM4E
SCHEMBL4287621 0.93 HCRTR1 (0.41) NPC1RAB9AHCRTR1HCRTR2USP19
Trifluoroacetic Acid SCHEMBL4289374 0.93 HCRTR1 (0.36) NPC1RAB9AHCRTR1HCRTR2USP19
SCHEMBL4288893 0.92 USP19 (0.36) NPC1RAB9AHCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4289923 0.92 HCRTR1 (0.39) NPC1RAB9AHCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4282670 0.92 HCRTR1 (0.40) HCRTR1HCRTR2USP19CHEK2

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 NPC1 1165/4885RAB9A 1247/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NPC1 1165/4885RAB9A 1247/4885HCRTR1 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.