SCHEMBL428302

SCHEMBL428302

[c]1ccc2c(c1)OCCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
FABP6 P51161 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
PRKCI P41743 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
ADRA2B P18089 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
SCHEMBL670334 0.85 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL2033180 0.80
SCHEMBL28507483 0.75 FABP6 (0.50) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL2475700 0.74 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10MAPT
SCHEMBL88894 0.71 GAA (0.55) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL8942627 0.71 GAA (0.55) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL56313 0.71 GAA (0.55) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL871099 0.71 GAA (0.55) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL20030 0.70 ITGB2 (0.48) ALDH1A1GAAMAPTKDM4EADRA2A
SCHEMBL3813285 0.70 MEN1 (0.34) ALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP claimed
WO-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 WO claimed
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US claimed
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 US claimed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US claimed
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US claimed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US claimed
EP-2373318-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2019-06-05 EP claimed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US claimed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US claimed
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP claimed
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US claimed
WO-2008083367-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO claimed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP claimed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US claimed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US claimed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 WO claimed

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

For each of this compound's patents that has machine-readable text (10 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2314/4885GAA 3930/4885HSD17B10 2000/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885GAA 3911/4885HSD17B10 2065/4885
US-20080188455-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 ALDH1A1 4540/4885GAA 760/4885HSD17B10 4566/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ALDH1A1 333/4885GAA 1653/4885HSD17B10 743/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 ALDH1A1 1493/4885GAA 1645/4885HSD17B10 1206/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885GAA 3911/4885HSD17B10 2065/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885GAA 3844/4885HSD17B10 2081/4885
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 ALDH1A1 639/4885GAA 3490/4885HSD17B10 3973/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C ALDH1A1 4349/4885GAA 2152/4885HSD17B10 2348/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885GAA 3844/4885HSD17B10 2081/4885

“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.