SCHEMBL15084020

SCHEMBL15084020

C[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(C#N)c(F)c2)cc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.45
▸ CTSC P53634 10/20 0.43
▸ CTSK P43235 4/20 0.43
▸ CTSS P25774 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ KDM1A O60341 4/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL15084097 0.89 CTSC (0.55) GPR119CTSCCTSKKCNH2
SCHEMBL15084018 0.89 CTSC (0.55) GPR119CTSCCTSKKCNH2
SCHEMBL15081643 0.87 CTSC (0.46) GPR119CTSCCTSKKDM1A
SCHEMBL15084085 0.83 CTSC (0.47) CTSCCTSKKCNH2
SCHEMBL15083997 0.83 CTSS (0.41) CTSKCTSS
SCHEMBL15084021 0.82 GPR119 (0.44) GPR119
SCHEMBL14822357 0.81 CACNA1B (0.39) —
SCHEMBL15083924 0.81 MCL1 (0.39) CTSC
SCHEMBL15083921 0.80 CACNA1B (0.38) CTSC
SCHEMBL15084019 0.80 CACNA1B (0.38) CTSC

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-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — 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-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C CTSS, CTSB, CTSG GPR119 2654/4885CTSC 9/4885CTSK 13/4885

“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.

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