SCHEMBL4234479

SCHEMBL4234479

COc1cc2c(c(-c3ccccc3OC)c1)OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
VDR P11473 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4219062 0.93 TSHR (0.38) CYP3A4CYP2C9CYP2C19MAPTTSHR
SCHEMBL4225277 0.92 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19MAPTTSHR
SCHEMBL4228784 0.91 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19MAPTTSHR
SCHEMBL4230767 0.90 AQP1 (0.38) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4236229 0.90 MAPT (0.36) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4232703 0.90 ITGB1 (0.37) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4226401 0.89 ALDH1A1 (0.35) CYP3A4CYP2C9CYP2C19MAPTTSHR
SCHEMBL4226492 0.89 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19MAPTTSHR
SCHEMBL4225081 0.89 PRKAB2 (0.42) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4222464 0.88 MAPT (0.34) CYP3A4CYP2C9CYP2C19MAPTTSHR

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
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
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

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

For each of this compound's patents that has machine-readable text (3 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A CYP3A4 241/4885CYP2C9 335/4885CYP2C19 268/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A CYP3A4 241/4885CYP2C9 335/4885CYP2C19 268/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A CYP3A4 538/4885CYP2C9 754/4885CYP2C19 609/4885

“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.