SCHEMBL4220133

SCHEMBL4220133

COc1ccc(C)cc1-c1cc(F)cc2c1OC(CCN)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.46
SLC6A2 P23975 15/20 0.42
SLC6A4 P31645 15/20 0.42
SLC6A3 Q01959 14/20 0.42
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39

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
SCHEMBL4220657 0.91 AQP1 (0.56) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4220701 0.88 AQP1 (0.58) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4225490 0.88 AQP1 (0.50) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4231148 0.87 AQP1 (0.47) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4220125 0.85 AQP1 (0.59) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4223655 0.82 AQP1 (0.50) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4595097 0.82 PARP1 (0.43) AQP1
SCHEMBL4222416 0.81 AQP1 (0.47) AQP1SLC6A2SLC6A4SLC6A3PRKAB2
SCHEMBL4231247 0.81 PRKAB2 (0.46) SLC6A2SLC6A4SLC6A3PRKAB2PRKAG1
SCHEMBL4595096 0.81 AQP1 (0.35) AQP1

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 38 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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 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-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO claimed
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 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 3262/4885SLC6A2 36/4885SLC6A4 53/4885
US-20060258639-A1 Therapeutic combinations for the treatment or prevention of psychotic disorders TTPA, GAP43, SLC6A3 AQP1 1709/4885SLC6A2 88/4885SLC6A4 222/4885
US-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885SLC6A2 14/4885SLC6A4 31/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE AQP1 1312/4885SLC6A2 4/4885SLC6A4 8/4885
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof HTR1F, HTR2C, HTR3D AQP1 3184/4885SLC6A2 43/4885SLC6A4 41/4885
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A AQP1 1105/4885SLC6A2 62/4885SLC6A4 44/4885
US-20060258713-A1 Treatment of pain OPRL1, OPRK1, OPRD1 AQP1 694/4885SLC6A2 318/4885SLC6A4 581/4885
US-20060258712-A1 Methods for modulating bladder function PDE3A, PDE3B, PDE2A AQP1 137/4885SLC6A2 709/4885SLC6A4 1242/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885SLC6A2 62/4885SLC6A4 44/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885SLC6A2 99/4885SLC6A4 80/4885

“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.