SCHEMBL4281526

SCHEMBL4281526

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCNc2ccc3sc(C)nc3c2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.34
HCRTR2 O43614 11/20 0.34
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL4287523 0.95 MAPT (0.35) HCRTR1HCRTR2
SCHEMBL13705304 0.93 HCRTR1 (0.33) HCRTR1HCRTR2CYP3A4CYP1A2CYP2C9
SCHEMBL4285549 0.90 HCRTR1 (0.35) HCRTR1HCRTR2CYP3A4CYP1A2CYP2C9
SCHEMBL4281558 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CYP3A4CYP1A2CYP2C9
SCHEMBL13705305 0.89 MAPT (0.35) HCRTR1HCRTR2
SCHEMBL4296784 0.88 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL4286204 0.86 CHKA (0.33) HCRTR1HCRTR2
SCHEMBL4290997 0.86 HTR7 (0.34)
SCHEMBL4291716 0.85 HCRTR1 (0.35) HCRTR1HCRTR2CYP3A4
SCHEMBL4293922 0.84 NOS2 (0.32)

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 3136/4885CYP3A4 50/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CYP3A4 50/4885

“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.