SCHEMBL16000558

SCHEMBL16000558

CC(C)N1CCO[C@@H](CO)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
PDK1 Q15118 5/20 0.47
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
ERBB2 P04626 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL104093 1.00 HRH3 (0.51) HRH3PDK1CCR2KCNH2CHRM2
SCHEMBL16000544 1.00 HRH3 (0.51) HRH3PDK1CCR2KCNH2CHRM2
SCHEMBL26999673 0.89 PDK1 (0.50) HRH3PDK1CCR2KCNH2ERBB2
SCHEMBL26789735 0.85 HRH3 (0.44) HRH3PDK1CCR2KCNH2CHRM2
SCHEMBL23467615 0.85 PDK1 (0.45) HRH3PDK1CCR2KCNH2ADORA2A
SCHEMBL16812143 0.85 HRH3 (0.49) HRH3PDK1CCR2KCNH2CHRM2
SCHEMBL20624866 0.85 PDK1 (0.45) HRH3PDK1CCR2KCNH2ADORA2A
SCHEMBL25081867 0.83 HRH3 (0.40) HRH3PDK1CCR2KCNH2
SCHEMBL16000539 0.82 HRH3 (0.53) HRH3PDK1CCR2KCNH2CHRM2
SCHEMBL12122183 0.82 HRH3 (0.53) HRH3PDK1CCR2KCNH2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 US disclosed
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2021-07-01 US disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
WO-2021072238-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2021-04-15 WO disclosed
US-10000475-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-06-19 US disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
WO-2017106564-A1 COMBINATION OF A JAK INHIBITOR AND A SYK INHIBITOR FOR TREATING CANCERS AND INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170173034-A1 COMBINATION OF A JAK INHIBITOR AND A SYK INHIBITOR FOR TREATING CANCERS AND INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-06-22 US disclosed
US-20170173034-A1 COMBINATION OF A JAK INHIBITOR AND A SYK INHIBITOR FOR TREATING CANCERS AND INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-06-22 US disclosed
US-9340538-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-05-17 US disclosed
US-20150353512-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-10 US disclosed
US-9120786-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
US-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-04 US disclosed
US-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-04 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 (13 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-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 HRH3 1555/4885PDK1 601/4885CCR2 3894/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 HRH3 2176/4885PDK1 1301/4885CCR2 1554/4885
US-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885PDK1 185/4885CCR2 4148/4885
US-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B HRH3 1032/4885PDK1 4248/4885CCR2 2509/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 HRH3 303/4885PDK1 327/4885CCR2 2119/4885
US-20150353512-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B HRH3 1032/4885PDK1 4248/4885CCR2 2509/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 HRH3 1328/4885PDK1 2687/4885CCR2 2648/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885PDK1 185/4885CCR2 4148/4885
US-10000475-B2 Triazine carboxamides as sodium channel blockers TRPV1, SCN2A, SCN2B HRH3 1032/4885PDK1 4248/4885CCR2 2509/4885
US-20170173034-A1 COMBINATION OF A JAK INHIBITOR AND A SYK INHIBITOR FOR TREATING CANCERS AND INFLAMMATORY DISORDERS SYK, BTK, JAK1 HRH3 3206/4885PDK1 3064/4885CCR2 1309/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 HRH3 303/4885PDK1 327/4885CCR2 2119/4885
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 HRH3 3066/4885PDK1 231/4885CCR2 2000/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK HRH3 288/4885PDK1 163/4885CCR2 1900/4885

“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.