SCHEMBL4289023

SCHEMBL4289023

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccc(C(=O)NC3CC3)cc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
BTK Q06187 1/20 0.32
CHEK2 O96017 1/20 0.32
POLB P06746 1/20 0.32
TTK P33981 1/20 0.32
SLC2A1 P11166 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL13705272 0.93 HCRTR1 (0.34) HCRTR1HCRTR2MAPTALDH1A1NPC1
SCHEMBL4282753 0.92 HCRTR1 (0.38) HCRTR1HCRTR2MAPTALDH1A1CHEK2
SCHEMBL4285677 0.92 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1CHEK2NPC1
SCHEMBL4281981 0.91 HCRTR1 (0.38) HCRTR1HCRTR2MAPTALDH1A1CHEK2
SCHEMBL4289988 0.90 HCRTR1 (0.36) HCRTR1HCRTR2CHEK2NPC1RAB9A
SCHEMBL4289721 0.90 HCRTR1 (0.37) HCRTR1HCRTR2MAPTCHEK2
SCHEMBL4282554 0.89 HCRTR1 (0.38) HCRTR1HCRTR2MAPTALDH1A1CHEK2
SCHEMBL4293624 0.87 HCRTR1 (0.37) HCRTR1HCRTR2MAPTALDH1A1NPC1
SCHEMBL4287181 0.87 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1CHEK2NPC1
SCHEMBL4296767 0.86 HCRTR1 (0.34) 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 3136/4885MAPT 3142/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885MAPT 3142/4885

“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.