SCHEMBL15084117

SCHEMBL15084117

CC(=O)N1CCC(c2ccc(C[C@H](NC(=O)[C@@H]3[C@H](C)CC[C@H](C)N3C(=O)OC(C)(C)C)C(N)=O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ CTSC P53634 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ YAP1 P46937 3/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CCKBR P32239 1/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ VHL P40337 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
SCHEMBL15083942 0.92 MAPK1 (0.44) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15084030 0.92 CTSC (0.41) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15084107 0.92 CACNA1B (0.39) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15084076 0.91 CTSC (0.41) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15084078 0.91 CTSC (0.42) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15084077 0.91 CTSC (0.42) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15083928 0.90 CACNA1B (0.39) MAPK1YAP1CACNA1BKMT2ACCKBR
SCHEMBL15084127 0.90 CTSC (0.40) MAPK1CTSCNAMPTYAP1CACNA1B
SCHEMBL15084073 0.89 CTSC (0.41) MAPK1CTSCYAP1CACNA1BKMT2A
SCHEMBL15083943 0.89 CTSC (0.41) MAPK1CTSCNAMPTYAP1CACNA1B

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 MAPK1 3146/4885CTSC 9/4885NAMPT 908/4885

“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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