SCHEMBL8282017

SCHEMBL8282017

CC(C)(C)OC(=O)NC1(CN)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
EPHX1 P07099 1/20 0.37
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSL P07711 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
APLNR P35414 1/20 0.34
PPIA P62937 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL1134597 0.98 P2RX7 (0.41) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL16081548 0.95 P2RX7 (0.39) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL1752478 0.91 MEN1 (0.37) P2RX7EPHX1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL28213668 0.90 MEN1 (0.36) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL14851186 0.86 P2RX7 (0.34) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL3365305 0.85 P2RX7 (0.40) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL14334492 0.85 P2RX7 (0.44) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL12975362 0.85 P2RX7 (0.44) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL941564 0.85 P2RX7 (0.44) P2RX7EPHX1GAAMEN1KMT2A
SCHEMBL22765980 0.84 P2RX7 (0.42) P2RX7EPHX1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264135-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one PHARMACOSMOS HOLDING A/S (DK) 2025-04-01 US disclosed
US-20240199556-A1 Synthesis of 1,4-Diazaspiro[5.5]Undecan-3-One G1 THERAPEUTICS, INC. (US) 2024-06-20 US disclosed
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one G1 THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210179567-A1 SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE G1 THERAPEUTICS, INC. (US) 2021-06-17 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
EP-3472141-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2019-04-24 EP disclosed
CN-109641864-A ANTI-INFECTIVE AGENTS 邓迪大学 2019-04-16 CN disclosed
WO-2017221002-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2017-12-28 WO disclosed
CN-104981470-B Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use 拜耳制药股份公司 2017-04-19 CN disclosed
CN-104981470-A Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use Bayer Pharma AG 2015-10-14 CN disclosed
CN-102015705-B Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2013-11-13 CN disclosed
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 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 (8 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 P2RX7 206/4885EPHX1 1977/4885GAA 1799/4885
US-12264135-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one NDC1, SDC1, SDC2 P2RX7 2807/4885EPHX1 3393/4885GAA 1852/4885
US-11708337-B2 Synthesis of 1,4-diazaspiro[5.5]undecan-3-one NDC1, SDC1, SDC2 P2RX7 2807/4885EPHX1 3393/4885GAA 1852/4885
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB P2RX7 1824/4885EPHX1 751/4885GAA 1711/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 P2RX7 206/4885EPHX1 1977/4885GAA 1799/4885
US-20210179567-A1 SYNTHESIS OF 1,4-DIAZASPIRO[5.5]UNDECAN-3-ONE NDC1, SDC1, SDC2 P2RX7 2807/4885EPHX1 3393/4885GAA 1852/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 P2RX7 191/4885EPHX1 1954/4885GAA 1593/4885
US-20240199556-A1 Synthesis of 1,4-Diazaspiro[5.5]Undecan-3-One NDC1, SDC1, SDC2 P2RX7 2807/4885EPHX1 3393/4885GAA 1852/4885

“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.