SCHEMBL4286204

SCHEMBL4286204

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(C(=O)O)C[C@H]2CCNc2cccc(OC)c2)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CCR3 P51677 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GRIN2B Q13224 2/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
DGAT1 O75907 1/20 0.31
USP19 O94966 1/20 0.31
OPRD1 P41143 2/20 0.31
HTR2A P28223 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL4296784 0.94 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL13705303 0.93 NPSR1 (0.35) CHKACCR3ALDH1A1GRIN2BOPRD1
SCHEMBL4290997 0.92 HTR7 (0.34) OPRD1
SCHEMBL4290990 0.89 L3MBTL1 (0.31) TRPV1
SCHEMBL4286333 0.89 USP19 (0.37) CHKATRPV1HCRTR1HCRTR2USP19
SCHEMBL4293922 0.87 NOS2 (0.32) GRIN2B
SCHEMBL4285677 0.87 HCRTR1 (0.39) ALDH1A1HPGDHCRTR1HCRTR2
SCHEMBL4281526 0.86 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL4287523 0.86 MAPT (0.35) POLBALDH1A1TSHRHCRTR1HCRTR2
SCHEMBL4284990 0.86 HCRTR1 (0.32) HCRTR1HCRTR2USP19

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 CHKA 1304/4885TRPV1 775/4885CCR3 4507/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHKA 1304/4885TRPV1 775/4885CCR3 4507/4885

“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.