SCHEMBL13705443

SCHEMBL13705443

CCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCNc2cc(Cl)ccc2C)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.33
CHRM3 P20309 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MC2R Q01718 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
SCHEMBL4296635 0.94 ACP1 (0.34) ACP1CHRM3CNR1CNR2HCRTR1
SCHEMBL13705440 0.92 ACP1 (0.34) ACP1CHRM3HCRTR1HCRTR2
SCHEMBL13705453 0.89 HCRTR2 (0.34) CHRM3CNR1CNR2HCRTR1HCRTR2
SCHEMBL13705403 0.88 CHRM3 (0.34) ACP1CHRM3HCRTR1HCRTR2
SCHEMBL13705448 0.86 HCRTR1 (0.41) CHRM3HCRTR1HCRTR2ALDH1A1
SCHEMBL4283035 0.86 ACP1 (0.35) ACP1CHRM3HCRTR1HCRTR2
SCHEMBL13705437 0.86 ACP1 (0.33) ACP1HCRTR1HCRTR2
SCHEMBL13705444 0.86 HCRTR2 (0.40) CHRM3CNR1CNR2HCRTR1HCRTR2
SCHEMBL4753383 0.85 CHRM3 (0.32) ACP1CHRM3HCRTR1HCRTR2
SCHEMBL13810259 0.84 ACP1 (0.34) ACP1CHRM3HCRTR1HCRTR2

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 4 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-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
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 3629/4885CHRM3 3197/4885CNR1 3488/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ACP1 3629/4885CHRM3 3197/4885CNR1 3488/4885

“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.