SCHEMBL4225193

SCHEMBL4225193

Cc1cc2c(c(-c3ccc(Cl)cc3Cl)c1)OC(CCN)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.61
EZH2 Q15910 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.34
DPP4 P27487 5/20 0.33
DPP8 Q6V1X1 3/20 0.33
F2RL3 Q96RI0 2/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4220770 0.91 AQP1 (0.49) AQP1EZH2SIRT2PRKAB2PRKAG1
SCHEMBL4224721 0.90 AQP1 (0.74) AQP1EZH2DPP4DPP8F2RL3
SCHEMBL4219183 0.89 AQP1 (0.65) AQP1EZH2SIRT2PRKAB2PRKAG1
SCHEMBL4235651 0.87 AQP1 (0.45) AQP1EZH2SIRT2DPP4PRKAB2
SCHEMBL4234651 0.85 AQP1 (0.43) AQP1EZH2SIRT2PRKAB2PRKAG1
SCHEMBL4596108 0.84 AQP1 (0.51) AQP1EZH2SIRT2ALDH1A1
SCHEMBL4225189 0.83 AQP1 (0.77) AQP1EZH2DPP4DPP8F2RL3
SCHEMBL4221951 0.82 AQP1 (0.41) AQP1SIRT2PRKAB2PRKAG1PRKAA2
SCHEMBL4768198 0.82 AQP1 (0.42) AQP1EZH2SIRT2PRKAB2PRKAG1
SCHEMBL4225698 0.82 AQP1 (0.54) AQP1EZH2SIRT2PRKAB2PRKAG1

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 26 patents — showing the first 20. 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 claimed
US-7396857-B2 Therapeutic combinations for the treatment or prevention of depression WYETH (US) 2008-07-08 US claimed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US claimed
JP-2007509174-A 2007-04-12 JP 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
US-20060258715-A1 Therapeutic combinations for the treatment or prevention of depression WYETH (US) 2006-11-16 US claimed
US-20060258713-A1 Treatment of pain WYETH (US) 2006-11-16 US 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
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-20080269321-A1 Therapeutic Combinations for the Treatment or Prevention of Depression WYETH (US) 2008-10-30 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-20060258712-A1 Methods for modulating bladder function WYETH (US) 2006-11-16 US disclosed
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof WYETH (US) 2006-11-16 US 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

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

For each of this compound's patents that has machine-readable text (11 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-20060258715-A1 Therapeutic combinations for the treatment or prevention of depression GRIN3A, GRIN2A, BDNF AQP1 3262/4885EZH2 1000/4885SIRT2 883/4885
US-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders TTPA, GAP43, SLC6A3 AQP1 1709/4885EZH2 4089/4885SIRT2 2892/4885
US-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885EZH2 2684/4885SIRT2 1579/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE AQP1 1312/4885EZH2 1562/4885SIRT2 2605/4885
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof HTR1F, HTR2C, HTR3D AQP1 3184/4885EZH2 4344/4885SIRT2 1518/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885SIRT2 3142/4885
US-20060258713-A1 Treatment of pain OPRL1, OPRK1, OPRD1 AQP1 694/4885EZH2 4277/4885SIRT2 2459/4885
US-20060258712-A1 Methods for modulating bladder function PDE3A, PDE3B, PDE2A AQP1 137/4885EZH2 2556/4885SIRT2 1450/4885
US-20080269321-A1 Therapeutic Combinations for the Treatment or Prevention of Depression GRIN3A, GRIN2A, BDNF AQP1 3262/4885EZH2 1000/4885SIRT2 883/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885SIRT2 3142/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885EZH2 4171/4885SIRT2 1953/4885

“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.