SCHEMBL4299441

SCHEMBL4299441

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)Oc2ccc(C#N)cc2)CC1)Oc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
PANK3 Q9H999 3/20 0.46
HRH3 Q9Y5N1 6/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNA5 P22460 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FAAH O00519 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL4751878 0.82 CYP1A2 (0.49) GAASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL28037643 0.80 GAA (0.48) MGLLGAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4298297 0.80 MGLL (0.46) MGLLALDH1A1CYP2C19
SCHEMBL4750352 0.78 RAB9A (0.55) HRH2HRH1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4753413 0.77 TDP1 (0.51) GAASMN1; SMN2
SCHEMBL4380069 0.75 GPR119 (0.65) HRH3GPR119
SCHEMBL4753498 0.74 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1MAPK1CYP2C19
SCHEMBL4750109 0.72 ALDH1A1 (0.40) MGLLGAASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL4293429 0.72 FKBP1A (0.48) MGLLGAAALDH1A1HSD17B10
SCHEMBL4751893 0.71 MGLL (0.42) MGLLSMN1; SMN2ALDH1A1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MGLL 2197/4885PANK3 1934/4885HRH3 1248/4885

“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.