SCHEMBL4284042

SCHEMBL4284042

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
USP19 O94966 3/20 0.34
HRH3 Q9Y5N1 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
PPARG P37231 1/20 0.31
CHEK2 O96017 1/20 0.31
P2RY12 Q9H244 1/20 0.30
LTA4H P09960 3/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL4287621 0.92 HCRTR1 (0.41) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4285435 0.92 HCRTR1 (0.39) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4281829 0.92 HCRTR1 (0.41) HCRTR1HCRTR2USP19CHEK2
Hydrochloric Acid SCHEMBL4282670 0.92 HCRTR1 (0.40) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4287922 0.91 HCRTR1 (0.42) HCRTR1HCRTR2USP19CHEK2
SCHEMBL13705380 0.91 HCRTR1 (0.40) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4289759 0.91 HCRTR1 (0.38) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4291192 0.91 HCRTR1 (0.39) HCRTR1HCRTR2USP19CHEK2KDM4E
SCHEMBL4285534 0.90 HCRTR1 (0.48) HCRTR1HCRTR2USP19CHEK2
SCHEMBL4281907 0.90 HCRTR1 (0.40) HCRTR1HCRTR2USP19CHEK2

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 3136/4885USP19 1993/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885USP19 1993/4885

“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.