SCHEMBL4226529

SCHEMBL4226529

CNCC1Cc2cc(C)cc(-c3ccccc3F)c2O1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.54
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
CYP2D6 P10635 2/20 0.34
EZH2 Q15910 1/20 0.33
HTR2A P28223 3/20 0.33
MAPT P10636 1/20 0.33
SLC6A3 Q01959 1/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 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
SCHEMBL4219199 0.89 AQP1 (0.67) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230508 0.87 AQP1 (0.61) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226249 0.86 AQP1 (0.52) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4235648 0.85 AQP1 (0.60) AQP1SLC6A2SLC6A4CYP2D6EZH2
SCHEMBL4226235 0.85 PRKAB2 (0.52) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4232160 0.85 AQP1 (0.51) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4597006 0.85 AQP1 (0.55) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226535 0.84 PRKAB2 (0.43) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4231245 0.83 AQP1 (0.47) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5202177 0.81 AQP1 (0.67) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN claimed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN claimed
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US claimed
US-7396857-B2 Therapeutic combinations for the treatment or prevention of depression WYETH (US) 2008-07-08 US claimed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN claimed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN claimed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN claimed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN claimed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN claimed
US-20060258712-A1 Methods for modulating bladder function WYETH (US) 2006-11-16 US claimed
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof WYETH (US) 2006-11-16 US claimed
US-20060258711-A1 Treatment of drug abuse WYETH (US) 2006-11-16 US claimed
US-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH (US) 2006-11-16 US claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO claimed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 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 (5 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-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders TTPA, GAP43, SLC6A3 AQP1 1709/4885PRKAB2 3768/4885PRKAG1 3769/4885
US-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885PRKAB2 2840/4885PRKAG1 2552/4885
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof HTR1F, HTR2C, HTR3D AQP1 3184/4885PRKAB2 4363/4885PRKAG1 4343/4885
US-20060258712-A1 Methods for modulating bladder function PDE3A, PDE3B, PDE2A AQP1 137/4885PRKAB2 1021/4885PRKAG1 1420/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885PRKAB2 2598/4885PRKAG1 2441/4885

“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.