SCHEMBL4281719

SCHEMBL4281719

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCNc2cccc(C(=O)OC)c2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.36
USP19 O94966 6/20 0.35
HTR7 P34969 1/20 0.34
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CASR P41180 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
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
SCHEMBL13705402 0.96 USP19 (0.35) ACP1USP19
SCHEMBL4294075 0.95 USP19 (0.35) ACP1USP19CPT2CPT1A
Trifluoroacetic Acid SCHEMBL4287578 0.93 USP19 (0.34) ACP1USP19
SCHEMBL4286293 0.93 USP19 (0.35) ACP1USP19
SCHEMBL4281275 0.93 USP19 (0.37) USP19
SCHEMBL4296377 0.93 USP19 (0.37) ACP1USP19
SCHEMBL4286333 0.92 USP19 (0.37) ACP1USP19
SCHEMBL4285250 0.90 USP19 (0.34) USP19
SCHEMBL4284881 0.90 ACP1 (0.35) ACP1USP19ALDH1A1TSHR
SCHEMBL4283819 0.89 HCRTR1 (0.37) ACP1USP19CPT2CPT1AALDH1A1

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 ACP1 3629/4885USP19 1993/4885HTR7 1874/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ACP1 3629/4885USP19 1993/4885HTR7 1874/4885

“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.