SCHEMBL3554487

SCHEMBL3554487

CC(C)(C)C1CN(c2ccc(C#N)cn2)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.51
PANK3 Q9H999 7/20 0.49
PARP1 P09874 4/20 0.49
PARP2 Q9UGN5 3/20 0.49
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CHRM1 P11229 2/20 0.45
CHRM2 P08172 2/20 0.45
CHRM5 P08912 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
SMO Q99835 2/20 0.43

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
SCHEMBL28982891 0.85 PARP1 (0.58) CHRM4PANK3PARP1PARP2CHRM1
SCHEMBL26125148 0.85 PARP1 (0.58) CHRM4PANK3PARP1PARP2CHRM1
SCHEMBL25264632 0.85 CHRM4 (0.48) CHRM4PARP1CHRM1CHRM2CHRM5
SCHEMBL22638185 0.83 ME2 (0.51)
SCHEMBL3787774 0.83 CHRM4 (0.49) CHRM4PANK3PARP1PARP2
SCHEMBL25273965 0.82 GRM1 (0.43) CHRM4
SCHEMBL21854001 0.81 PARP1 (0.61) CHRM4PANK3PARP1PARP2DPP4
SCHEMBL25207018 0.81 PANK3 (0.51) CHRM4PANK3
SCHEMBL4508825 0.79 GRM4 (0.42) CHRM4
SCHEMBL26620008 0.79 MEN1 (0.55) PANK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A CHRM4 1039/4885PANK3 776/4885PARP1 368/4885

“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.