SCHEMBL21166008

SCHEMBL21166008

COC[C@H]1CN(C(C)C)CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.60
PDK1 Q15118 5/20 0.51
ERBB2 P04626 2/20 0.38
EPHA2 P29317 2/20 0.38
KDR P35968 2/20 0.38
EPHB4 P54760 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD4 P21917 4/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32

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
SCHEMBL12110193 1.00 HRH3 (0.60) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL17212814 1.00 HRH3 (0.60) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL23707123 0.88 HRH3 (0.50) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL23467616 0.87 HRH3 (0.49) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL24859641 0.86 PDK1 (0.49) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL23442169 0.84 HRH3 (0.58) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL17827404 0.84 HRH3 (0.58) HRH3PDK1ERBB2EPHA2KDR
SCHEMBL26938042 0.84 HRH3 (0.44) HRH3PDK1
SCHEMBL26938051 0.84 HRH3 (0.44) HRH3PDK1
SCHEMBL27323714 0.84 HRH3 (0.58) HRH3PDK1ERBB2EPHA2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
US-20210355124-A1 Cyclic compounds as receptor modulating therapeutics and methods and uses thereof BIONOMICS LIMITED (AU) 2021-11-18 US disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 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-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078998-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (11 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 HRH3 387/4885PDK1 185/4885ERBB2 3180/4885
US-20210078998-A1 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 327/4885ERBB2 1950/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 HRH3 2995/4885PDK1 447/4885ERBB2 4125/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 HRH3 2995/4885PDK1 447/4885ERBB2 4125/4885
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 327/4885ERBB2 1950/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885PDK1 185/4885ERBB2 3180/4885
US-20210355124-A1 Cyclic compounds as receptor modulating therapeutics and methods and uses thereof CHRNA7, CHRNA1, CHRNA5 HRH3 351/4885PDK1 925/4885ERBB2 473/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 HRH3 333/4885PDK1 323/4885ERBB2 2105/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885PDK1 185/4885ERBB2 3180/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 HRH3 333/4885PDK1 323/4885ERBB2 2105/4885
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 163/4885ERBB2 1865/4885

“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.