SCHEMBL15084103

SCHEMBL15084103

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](Cc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HTRA1 Q92743 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ CAPN1 P07384 1/20 0.37
▸ VHL P40337 2/20 0.37
▸ PREP P48147 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ MCL1 Q07820 3/20 0.36
▸ CCKBR P32239 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
SCHEMBL16622336 0.88 PREP (0.40) HTRA1MAPK1NAMPTVHLPREP
SCHEMBL15081659 0.85 CTSC (0.45) HDAC4HTRA1MAPK1CAPN1PREP
SCHEMBL16622339 0.84 PREP (0.41) HTRA1MAPK1VHLPREPITGB1
SCHEMBL20384081 0.84 HTRA1 (0.37) HTRA1MAPK1PREPMCL1CCKBR
SCHEMBL16078767 0.84 HTRA1 (0.37) HTRA1MAPK1PREPMCL1CCKBR
SCHEMBL15081657 0.82 CTSC (0.42) HTRA1MAPK1VHLPREPITGB1
SCHEMBL16064451 0.81 CTSC (0.51) HTRA1PREP
SCHEMBL16064040 0.81 CTSC (0.55) —
SCHEMBL22643178 0.81 CTSC (0.55) —
SCHEMBL16064063 0.80 HTRA1 (0.37) HTRA1MAPK1CAPN1PREPCCKBR

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
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 — — EP disclosed
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
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 HDAC4 1134/4885HTRA1 577/4885MAPK1 3146/4885

“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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