SCHEMBL4225950

SCHEMBL4225950

NCCC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.53
EZH2 Q15910 1/20 0.40
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SIRT2 Q8IXJ6 8/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL4219183 0.91 AQP1 (0.65) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4232185 0.90 AQP1 (0.67) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4220770 0.90 AQP1 (0.49) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4226753 0.89 AQP1 (0.65) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4226757 0.87 AQP1 (0.47) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4220515 0.84 AQP1 (0.46) AQP1EZH2SIRT2HTR2AHTR2C
SCHEMBL4230140 0.84 AQP1 (0.45) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4232180 0.82 AQP1 (0.54) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL27728290 0.82 AQP1 (0.48) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4225586 0.82 AQP1 (0.46) AQP1EZH2SSTR2SSTR4SIRT2

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 37 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
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP 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
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
WO-2006116171-A1 TREATMENT OF PAIN 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
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 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 (10 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 1000/4885SSTR2 632/4885
US-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders TTPA, GAP43, SLC6A3 AQP1 1709/4885EZH2 4089/4885SSTR2 4218/4885
US-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885EZH2 2684/4885SSTR2 1390/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE AQP1 1312/4885EZH2 1562/4885SSTR2 3020/4885
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof HTR1F, HTR2C, HTR3D AQP1 3184/4885EZH2 4344/4885SSTR2 264/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885SSTR2 233/4885
US-20060258713-A1 Treatment of pain OPRL1, OPRK1, OPRD1 AQP1 694/4885EZH2 4277/4885SSTR2 561/4885
US-20060258712-A1 Methods for modulating bladder function PDE3A, PDE3B, PDE2A AQP1 137/4885EZH2 2556/4885SSTR2 787/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885SSTR2 233/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885EZH2 4171/4885SSTR2 152/4885

“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.