SCHEMBL4596960

SCHEMBL4596960

COc1cccc2c1OC(CO)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
HTR7 P34969 1/20 0.40
LDHA P00338 1/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7114723 0.85 KDM4E (0.48) HPGDKDM4EALDH1A1HTR1ADRD2
SCHEMBL6626738 0.85 KDM4E (0.48) HPGDKDM4EALDH1A1HTR1ADRD2
SCHEMBL4226542 0.84 PRKAB2 (0.63) HPGDKDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL9378081 0.84 PRKAB2 (0.47) HPGDKDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL4222577 0.79 KDM4E (0.41) HPGDKDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL5809840 0.79 KDM4E (0.41) HPGDKDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL13056378 0.77 KDM4E (0.43) HPGDKDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL15758912 0.77 PRKAB2 (0.48) HPGDKDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL13799415 0.77 PARP1 (0.51) HPGDKDM4EALDH1A1HTR7HTR1A
SCHEMBL5794998 0.77 DRD2 (0.46) HPGDKDM4EALDH1A1PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed
EP-0428437-B1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1994-08-17 EP disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed
EP-0428437-A1 1,2-Benzisoxazole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-05-22 EP 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 (2 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-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A HPGD 1445/4885KDM4E 2318/4885ALDH1A1 190/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A HPGD 2175/4885KDM4E 2246/4885ALDH1A1 283/4885

“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.