SCHEMBL4222690

SCHEMBL4222690

COc1ccc(-c2cccc3c2OC(CNC(=O)O)C3)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TP53 P04637 2/20 0.41
CTSA P10619 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL4596298 0.88 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4711185 0.86 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596681 0.86 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220783 0.85 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4230516 0.84 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4224407 0.82 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596651 0.81 OXTR (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4226726 0.80 ALDH1A1 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595611 0.79 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4228388 0.79 AQP1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
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-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 (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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A PRKAB2 2598/4885PRKAG1 2441/4885PRKAA2 1756/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A PRKAB2 2598/4885PRKAG1 2441/4885PRKAA2 1756/4885

“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.