SCHEMBL23114342

SCHEMBL23114342

CC(C)O[C@@H]1CCC[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.38
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
PTGS1 P23219 7/20 0.31
PTGS2 P35354 6/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31

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
SCHEMBL23114340 1.00 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL23107037 1.00 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL23108731 1.00 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8970109 1.00 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL23114343 1.00 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL105394 0.95 GSR (0.42) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8970155 0.93 GSR (0.44) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL8970409 0.93 GSR (0.44) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL804681 0.85
SCHEMBL10111314 0.85

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 7 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 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-20210087190-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) 2021-03-25 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 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 (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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GSR 4569/4885NPY1R 2278/4885NPY2R 2330/4885
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 GSR 4677/4885NPY1R 1382/4885NPY2R 1451/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GSR 4569/4885NPY1R 2278/4885NPY2R 2330/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 GSR 4677/4885NPY1R 1382/4885NPY2R 1451/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 GSR 4569/4885NPY1R 2278/4885NPY2R 2330/4885
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 GSR 4339/4885NPY1R 1217/4885NPY2R 1189/4885

“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.