SCHEMBL15084090

SCHEMBL15084090

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.42
▸ HTRA1 Q92743 1/20 0.40
▸ GPR119 Q8TDV5 6/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ AR P10275 1/20 0.38
▸ CTSK P43235 2/20 0.37
▸ CTSC P53634 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 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
SCHEMBL15064893 0.89 PREP (0.44) PREPHTRA1P2RX7CTSCMAPK1
SCHEMBL15064894 0.89 PREP (0.44) PREPHTRA1P2RX7CTSCMAPK1
SCHEMBL15081660 0.89 PREP (0.44) PREPHTRA1P2RX7CTSKMAPK1
SCHEMBL14822178 0.87 PREP (0.41) PREPHTRA1MAPK1CHRM2CHRM1
SCHEMBL15081643 0.86 CTSC (0.46) GPR119CTSKCTSC
SCHEMBL16622346 0.86 PREP (0.40) PREPHTRA1CTSCMAPK1CHRM2
SCHEMBL15081676 0.85 HTRA1 (0.44) PREPHTRA1CTSCMAPK1CHRM2
SCHEMBL14822155 0.84 GPR119 (0.44) PREPHTRA1GPR119CTSC
SCHEMBL15081645 0.84 PREP (0.40) PREPHTRA1CTSCMAPK1CHRM2
SCHEMBL15081677 0.84 ALDH1A1 (0.42) PREPHTRA1GPR119CTSCMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PREP 37/4885HTRA1 577/4885GPR119 2654/4885

“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