SCHEMBL19105643

SCHEMBL19105643

Cc1ncc(C(C)C)c(S(C)(=O)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 4/20 0.38
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
FABP4 P15090 3/20 0.32
FABP3 P05413 1/20 0.32
FABP5 Q01469 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90B1 P14625 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APLNR P35414 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL19145607 0.78 KMT2A (0.33) GLP1RKMT2A
SCHEMBL16849129 0.74 GLP1R (0.35) GLP1RP2RX3P2RX2FABP4FABP3
SCHEMBL6969049 0.71 P2RX3 (0.35) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL15035940 0.71 ALDH1A1 (0.40) GLP1RP2RX3P2RX2KMT2AL3MBTL1
SCHEMBL2609311 0.70 P2RX3 (0.36) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL19296126 0.69 P2RX3 (0.39) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL26898662 0.68 GLP1R (0.44) GLP1RFABP4FABP3FABP5L3MBTL1
SCHEMBL13390953 0.67 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL16369417 0.67 P2RX3 (0.35) P2RX3P2RX2HSP90AA1HSP90B1
SCHEMBL16369415 0.67 P2RX3 (0.35) P2RX3P2RX2HSP90AA1HSP90B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 US disclosed
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2019-04-11 US disclosed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 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 (4 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-20170197970-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 GLP1R 378/4885P2RX3 36/4885P2RX2 122/4885
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 GLP1R 378/4885P2RX3 36/4885P2RX2 122/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 GLP1R 378/4885P2RX3 36/4885P2RX2 122/4885
US-20190106429-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 GLP1R 378/4885P2RX3 36/4885P2RX2 122/4885

“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.