SCHEMBL4219183

SCHEMBL4219183

NCCC1Cc2cc(Cl)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.65
EZH2 Q15910 1/20 0.42
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SIRT2 Q8IXJ6 7/20 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
HTR2B P41595 1/20 0.33
CNR1 P21554 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
SCHEMBL4225950 0.91 AQP1 (0.53) AQP1EZH2HTR2AHTR2CSSTR2
SCHEMBL4220292 0.90 AQP1 (0.79) AQP1EZH2HTR2AHTR2CSIRT2
SCHEMBL4225193 0.89 AQP1 (0.61) AQP1EZH2HTR2AHTR2CSIRT2
SCHEMBL4596987 0.83 SIRT2 (0.55) AQP1EZH2SIRT2
SCHEMBL4220515 0.83 AQP1 (0.46) AQP1EZH2HTR2AHTR2CSIRT2
SCHEMBL4225483 0.82 AQP1 (0.53) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4230140 0.82 AQP1 (0.45) AQP1EZH2HTR2AHTR2CSSTR2
SCHEMBL4220770 0.81 AQP1 (0.49) AQP1EZH2SSTR2SSTR4SIRT2
SCHEMBL4232185 0.81 AQP1 (0.67) AQP1EZH2HTR2AHTR2CSSTR2
SCHEMBL4232180 0.81 AQP1 (0.54) 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 34 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-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP claimed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 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-20060258713-A1 Treatment of pain 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
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
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US 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
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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 1000/4885HTR2A 87/4885
US-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders TTPA, GAP43, SLC6A3 AQP1 1709/4885EZH2 4089/4885HTR2A 811/4885
US-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885EZH2 2684/4885HTR2A 209/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE AQP1 1312/4885EZH2 1562/4885HTR2A 32/4885
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof HTR1F, HTR2C, HTR3D AQP1 3184/4885EZH2 4344/4885HTR2A 9/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885HTR2A 11/4885
US-20060258713-A1 Treatment of pain OPRL1, OPRK1, OPRD1 AQP1 694/4885EZH2 4277/4885HTR2A 520/4885
US-20080269321-A1 Therapeutic Combinations for the Treatment or Prevention of Depression GRIN3A, GRIN2A, BDNF AQP1 3262/4885EZH2 1000/4885HTR2A 87/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885HTR2A 11/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885EZH2 4171/4885HTR2A 2/4885

“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.