SCHEMBL5199493

SCHEMBL5199493

CC(C)(C)OC(=O)N[C@H](CC(N)=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CTSK P43235 12/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CTSS P25774 7/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SYK P43405 1/20 0.36

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
SCHEMBL6829649 1.00 APP (0.43) APPCA1CA2CA7CYP2D6
SCHEMBL6684772 0.91 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL14617645 0.87 CA1 (0.42) APPCA1CA2CA7CYP2D6
SCHEMBL14265314 0.86 CTSK (0.42) APPCA1CA2CA7CYP2D6
SCHEMBL29402441 0.86 CTSK (0.42) APPCA1CA2CA7CYP2D6
SCHEMBL29130861 0.85 CA1 (0.44) APPCA1CA2CA7CYP2D6
SCHEMBL18427981 0.85 CYP2D6 (0.54) CA1CA2CA7CYP2D6CTSK
SCHEMBL29255369 0.85 CA1 (0.44) APPCA1CA2CA7CYP2D6
SCHEMBL29401130 0.85 CA1 (0.44) APPCA1CA2CA7CYP2D6
SCHEMBL30714656 0.85 CA1 (0.44) APPCA1CA2CA7CYP2D6

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-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — US disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 — — EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 — — 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-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC APP 3848/4885CA1 3855/4885CA2 1526/4885
US-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT APP 3496/4885CA1 4122/4885CA2 2960/4885

“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.

Send feedback