SCHEMBL4293033

SCHEMBL4293033

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
MEN1 O00255 2/20 0.36
GPR119 Q8TDV5 9/20 0.36
USP19 O94966 2/20 0.35
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA9 Q16790 3/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 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
SCHEMBL4287621 0.93 HCRTR1 (0.41) HCRTR1HCRTR2USP19
SCHEMBL4294383 0.93 HCRTR1 (0.38) HCRTR1HCRTR2MEN1GPR119USP19
SCHEMBL4281829 0.93 HCRTR1 (0.41) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4282670 0.93 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4287401 0.93 HCRTR1 (0.39) HCRTR1HCRTR2GPR119USP19CA1
SCHEMBL4287922 0.92 HCRTR1 (0.42) HCRTR1HCRTR2USP19
SCHEMBL13705380 0.92 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4281907 0.92 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4285534 0.92 HCRTR1 (0.48) HCRTR1HCRTR2USP19
SCHEMBL4294053 0.91 HCRTR1 (0.40) HCRTR1HCRTR2USP19CPT2CPT1A

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 3136/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885MEN1 1254/4885

“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.