SCHEMBL4294858

SCHEMBL4294858

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cc3nc(C)oc3cc2F)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 5/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP19 O94966 3/20 0.33
TSPO P30536 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4286375 0.94 USP19 (0.35) HCRTR1HCRTR2NPC1RAB9AUSP19
SCHEMBL4286361 0.91 HCRTR2 (0.38) HCRTR1HCRTR2NPC1RAB9AUSP19
SCHEMBL4281825 0.90 HCRTR1 (0.38) HCRTR1HCRTR2NPC1RAB9AUSP19
SCHEMBL4292682 0.90 HCRTR1 (0.36) HCRTR1HCRTR2USP19
SCHEMBL4287100 0.89 HCRTR1 (0.35) HCRTR1HCRTR2NPC1RAB9AUSP19
SCHEMBL4281546 0.89 HCRTR1 (0.38) HCRTR1HCRTR2NPC1RAB9AUSP19
SCHEMBL4288761 0.88 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4287278 0.88 USP19 (0.34) HCRTR1HCRTR2USP19
SCHEMBL4287053 0.88 HCRTR1 (0.34) HCRTR1HCRTR2NPC1RAB9AUSP19
SCHEMBL4287174 0.87 HCRTR1 (0.39) HCRTR1HCRTR2NPC1RAB9AUSP19

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-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
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 3136/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885NPC1 1165/4885

“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.