SCHEMBL4283035

SCHEMBL4283035

COc1ccc(C)c(NCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
CHRM3 P20309 1/20 0.34
USP19 O94966 1/20 0.33
CHRNA7 P36544 2/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13705403 0.97 CHRM3 (0.34) ACP1HCRTR1HCRTR2CHRM3USP19
SCHEMBL13705440 0.95 ACP1 (0.34) ACP1HCRTR1HCRTR2CHRM3USP19
SCHEMBL4281603 0.95 ACP1 (0.35) ACP1HCRTR1HCRTR2USP19CHRNA7
SCHEMBL4753383 0.94 CHRM3 (0.32) ACP1HCRTR1HCRTR2CHRM3USP19
SCHEMBL4287378 0.92 HCRTR1 (0.36) ACP1HCRTR1HCRTR2USP19CHRNA7
SCHEMBL13810259 0.92 ACP1 (0.34) ACP1HCRTR1HCRTR2CHRM3USP19
SCHEMBL4296635 0.91 ACP1 (0.34) ACP1HCRTR1HCRTR2CHRM3
SCHEMBL13810440 0.89 HCRTR1 (0.33) ACP1HCRTR1HCRTR2CHRM3USP19
SCHEMBL13705435 0.89 HCRTR1 (0.33) ACP1HCRTR1HCRTR2CHRM3USP19
SCHEMBL4292457 0.89 HCRTR1 (0.39) HCRTR1HCRTR2CHRM3USP19CHRNA7

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 3629/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ACP1 3629/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.