SCHEMBL4281981

SCHEMBL4281981

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccc(C(=O)N3CCC3)cc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
CHEK2 O96017 1/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
KCNA5 P22460 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
HRH3 Q9Y5N1 6/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4285677 0.94 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1HPGDNPC1
SCHEMBL4282753 0.94 HCRTR1 (0.38) HCRTR1HCRTR2ALDH1A1CHEK2OXTR
SCHEMBL13705273 0.93 HCRTR1 (0.36) HCRTR1HCRTR2ALDH1A1HPGDNPC1
SCHEMBL4289721 0.92 HCRTR1 (0.37) HCRTR1HCRTR2CHEK2MAPT
SCHEMBL4289023 0.91 HCRTR1 (0.36) HCRTR1HCRTR2ALDH1A1NPC1CHEK2
SCHEMBL4282962 0.89 HCRTR1 (0.34) HCRTR1HCRTR2ALDH1A1HPGDMEN1
SCHEMBL4293624 0.89 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1HPGDNPC1
SCHEMBL4284659 0.89 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1HPGDNPC1
SCHEMBL4289988 0.89 HCRTR1 (0.36) HCRTR1HCRTR2NPC1CHEK2
SCHEMBL4296767 0.89 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 3136/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885ALDH1A1 388/4885

“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.