SCHEMBL23104347

SCHEMBL23104347

CC(O)C1(C)CN(c2ccc([N+](=O)[O-])nc2)CCO1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ MAPT P10636 7/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CHRNB2 P17787 3/20 0.42
▸ CHRNA4 P43681 3/20 0.42
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA3 P32297 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TGM2 P21980 1/20 0.35

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
SCHEMBL23426028 0.85 POLB (0.54) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL27694801 0.84 POLB (0.65) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL23504212 0.80 PIK3CA (0.40) POLBMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL23089614 0.76 POLB (0.63) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL4722950 0.76 MAPT (0.58) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL1393073 0.75 MAPT (0.60) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL29437404 0.75 POLB (1.00) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL521371 0.75 POLB (1.00) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL17055328 0.74 MAPT (0.56) POLBMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL23089516 0.73 MAPT (0.62) POLBMAPTRAB9ASMN1; SMN2CHRNB2

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-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 — — 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-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 — — 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
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

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

For each of this compound's patents that has machine-readable text (7 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 POLB 3344/4885MAPT 3895/4885RAB9A 2937/4885
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 POLB 3548/4885MAPT 3245/4885RAB9A 3143/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 POLB 3344/4885MAPT 3895/4885RAB9A 2937/4885
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 POLB 3548/4885MAPT 3245/4885RAB9A 3143/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 POLB 3344/4885MAPT 3895/4885RAB9A 2937/4885
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 POLB 3311/4885MAPT 3099/4885RAB9A 3488/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 POLB 3729/4885MAPT 3564/4885RAB9A 3270/4885

“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.

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