SCHEMBL4290997

SCHEMBL4290997

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.34
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CASR P41180 2/20 0.31
RHOA P61586 1/20 0.31
FAAH O00519 1/20 0.31
OPRD1 P41143 1/20 0.30
TP53BP1 Q12888 1/20 0.30
ACP1 P24666 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4296784 0.93 HCRTR1 (0.31)
SCHEMBL13705298 0.93 PDE4B (0.32) HTR7FAAHOPRD1
SCHEMBL4286204 0.92 CHKA (0.33) OPRD1
SCHEMBL4287181 0.89 HCRTR1 (0.37) CPT2CPT1AOPRD1
SCHEMBL4281719 0.89 ACP1 (0.36) HTR7CPT2CPT1ACASRACP1
SCHEMBL4293922 0.87 NOS2 (0.32)
SCHEMBL4282753 0.86 HCRTR1 (0.38) CPT2CPT1AOPRD1
SCHEMBL4290990 0.86 L3MBTL1 (0.31) L3MBTL1
SCHEMBL4287523 0.86 MAPT (0.35)
SCHEMBL4281526 0.86 HCRTR1 (0.34)

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 HTR7 1874/4885CPT2 4179/4885CPT1A 1277/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HTR7 1874/4885CPT2 4179/4885CPT1A 1277/4885

“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.