SCHEMBL1952503

SCHEMBL1952503

CC(C)(C)OC(=O)N[C@H](CC#N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.61
CTSK P43235 16/20 0.61
CTSL P07711 2/20 0.58
CTSB P07858 2/20 0.58

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
SCHEMBL17708331 1.00 CTSS (0.61) CTSSCTSKCTSLCTSB
SCHEMBL999757 1.00 CTSS (0.61) CTSSCTSKCTSLCTSB
SCHEMBL999756 1.00 CTSS (0.61) CTSSCTSKCTSLCTSB
SCHEMBL29524801 0.87 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL29063337 0.86 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL29046818 0.86 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL28752529 0.86 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL1645984 0.85 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL1645980 0.85 CTSS (0.56) CTSSCTSKCTSLCTSB
SCHEMBL13318956 0.84 CTSS (0.59) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 WO disclosed
CN-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed
CN-107709301-A Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2018-02-16 CN disclosed
WO-2017025849-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS PFIZER INC. (US) 2017-02-16 WO disclosed
EP-2440558-B1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL (JP) 2015-04-01 EP disclosed
US-8785429-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED 2014-07-22 US disclosed
US-20130184252-A1 DIHYDROPYRROLONAPHTHYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
US-8420816-B2 Dihydropyrrolonaphthyridinone compounds as inhibitors of JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
EP-1735332-B1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-10-19 EP disclosed
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 US disclosed
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ZHAO CHEN 2008-05-15 US disclosed
US-7345034-B2 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-03-18 US disclosed
EP-1735332-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2006-12-27 EP disclosed
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-03 US disclosed
WO-2005100377-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-10-27 WO disclosed
US-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands ABBVIE INC. 2005-10-13 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 (5 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-20130184252-A1 DIHYDROPYRROLONAPHTHYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 CTSS 3087/4885CTSK 2726/4885CTSL 2201/4885
US-20050227953-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 CTSS 2225/4885CTSK 2157/4885CTSL 3887/4885
US-20110136780-A1 DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK JAK2, JAK1, JAK3 CTSS 3125/4885CTSK 2813/4885CTSL 2176/4885
US-20050245495-A1 Azacyclosteroid histamine-3 receptor ligands HRH4, HRH3, HRH2 CTSS 2225/4885CTSK 2157/4885CTSL 3887/4885
US-20080113982-A1 AZACYCLOSTEROID HISTAMINE-3 RECEPTOR LIGANDS HRH4, HRH3, HRH2 CTSS 2225/4885CTSK 2157/4885CTSL 3887/4885

“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.