SCHEMBL756428

SCHEMBL756428

[c]1nnccc1-c1cnccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
METAP2 P50579 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HSP90AA1 P07900 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.31
WNT3A P56704 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL15809743 0.77 NISCH (0.34) NISCHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL186905 0.74 KDM4E (0.50) METAP2MAPTCYP1A2HSP90AA1NPC1
SCHEMBL359859 0.73 METAP2 (0.37) NISCHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2372190 0.73 HSP90AA1 (0.34) CYP2D6MAPTHSP90AA1
SCHEMBL78566 0.68 NISCH (0.50) NISCHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29598957 0.68 NISCH (0.50) NISCHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29454745 0.68 NISCH (0.50) NISCHCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9117411 0.68
SCHEMBL940051 0.67 KDM4E (0.33)
SCHEMBL317129 0.67 GOT1 (0.32)

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US claimed
CN-108602777-B 3- ((hetero-) aryl) -alkyl-8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivative 格吕伦塔尔有限公司 2022-05-03 CN claimed
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2021-06-17 US claimed
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP claimed
US-20200399252-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-12-24 US claimed
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-11-10 US claimed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US claimed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 US claimed
EP-3652157-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2020-05-20 EP claimed
EP-3402784-B1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-11 EP claimed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO claimed
EP-1542678-B1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS SOLVAY PHARM BV (NL) 2010-02-24 EP claimed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 EP claimed
EP-1758911-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES Tibotec Pharmaceuticals Ltd. (IE) 2007-03-07 EP claimed
WO-2005111047-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 WO claimed
EP-1301490-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
WO-2002006242-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2002-01-24 WO claimed
CN-1071754-C Pyrimidinylpyrazole derivative DAIICHI SEIYAKU CO (JP) 2001-09-26 CN claimed
EP-0370629-B2 Fungicides ZENECA LTD (GB) 1998-01-07 EP claimed
CN-1166833-A pyrimidinyl pyrazole derivatives DAIICHI SEIYAKU CO (JP) 1997-12-03 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 NISCH 1873/4885CYP2D6 94/4885CYP19A1 1080/4885
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 NISCH 1873/4885CYP2D6 94/4885CYP19A1 1080/4885
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives OPRK1, OPRD1, OPRL1 NISCH 1789/4885CYP2D6 292/4885CYP19A1 532/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 NISCH 1789/4885CYP2D6 292/4885CYP19A1 532/4885
US-20200399252-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 NISCH 1873/4885CYP2D6 94/4885CYP19A1 1080/4885
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives OPRD1, OPRK1, OPRL1 NISCH 1831/4885CYP2D6 93/4885CYP19A1 1274/4885

“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.