SCHEMBL4288654

SCHEMBL4288654

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCOc2ccccc2Cl)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
SSTR4 P31391 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL4297031 0.93 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4285677 0.91 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EMEN1ALDH1A1
SCHEMBL4285267 0.91 HCRTR1 (0.36) HCRTR1HCRTR2KDM4EMEN1ALDH1A1
SCHEMBL4286213 0.90 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL4296767 0.90 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4282962 0.89 HCRTR1 (0.34) HCRTR1HCRTR2MEN1ALDH1A1KMT2A
SCHEMBL4284990 0.89 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL4281791 0.89 HCRTR2 (0.33) HCRTR1HCRTR2
SCHEMBL4286693 0.89 HCRTR1 (0.34) HCRTR1HCRTR2MEN1ALDH1A1KMT2A
SCHEMBL4284953 0.88 USP19 (0.36) HCRTR1HCRTR2SSTR4KDM4EMEN1

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 3136/4885SSTR4 945/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885SSTR4 945/4885

“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.