SCHEMBL14822357

SCHEMBL14822357

C[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ P2RX7 Q99572 1/20 0.37
▸ YAP1 P46937 2/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ ATM Q13315 2/20 0.35
▸ REN P00797 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL15083997 0.91 CTSS (0.41) CACNA1BMAPK1P2RX7YAP1CCKBR
SCHEMBL15083928 0.87 CACNA1B (0.39) CACNA1BMAPK1YAP1CCKBRKMT2A
SCHEMBL14822366 0.87 CACNA1B (0.40) CACNA1BMAPK1YAP1CCKBRKMT2A
SCHEMBL15083936 0.86 CACNA1B (0.36) CACNA1BMAPK1YAP1CCKBRKMT2A
SCHEMBL15083921 0.86 CACNA1B (0.38) CACNA1BMAPK1YAP1CCKBR
SCHEMBL15083926 0.86 JAK1 (0.37) CACNA1BMAPK1YAP1CCKBRKMT2A
SCHEMBL15084021 0.86 GPR119 (0.44) —
SCHEMBL15084107 0.86 CACNA1B (0.39) CACNA1BMAPK1YAP1CCKBRKMT2A
SCHEMBL15083924 0.85 MCL1 (0.39) —
SCHEMBL15084117 0.84 MAPK1 (0.40) CACNA1BMAPK1YAP1CCKBRKMT2A

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-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
WO-2013041497-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) 2013-03-28 — — WO 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 CACNA1B 1227/4885MAPK1 3146/4885P2RX7 3099/4885

“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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