SCHEMBL4285677

SCHEMBL4285677

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.39
HCRTR2 O43614 7/20 0.39
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32
CHEK2 O96017 1/20 0.32
ALOX15 P16050 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL4282753 0.94 HCRTR1 (0.38) HCRTR1HCRTR2RAB9ACHEK2MEN1
SCHEMBL4281981 0.94 HCRTR1 (0.38) HCRTR1HCRTR2NPC1HPGDCHEK2
SCHEMBL4296767 0.93 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4289721 0.93 HCRTR1 (0.37) HCRTR1HCRTR2CHEK2
SCHEMBL4287181 0.92 HCRTR1 (0.37) HCRTR1HCRTR2RAB9ANPC1CHEK2
SCHEMBL4288726 0.92 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4293624 0.92 HCRTR1 (0.37) HCRTR1HCRTR2RAB9ANPC1HPGD
SCHEMBL4282962 0.92 HCRTR1 (0.34) HCRTR1HCRTR2HPGDMEN1KMT2A
SCHEMBL4284990 0.92 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL4281791 0.92 HCRTR2 (0.33) HCRTR1HCRTR2

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 3136/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885RAB9A 1247/4885

“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.