Sugi Predict

Sugi Predict / Compounds / SCHEMBL4229544

SCHEMBL4229544

SCHEMBL4229544

NCC1Cc2cccc(-c3c(Cl)cc(Cl)cc3Cl)c2O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 3/20 0.55
▸ PRKAB2 O43741 2/20 0.55
▸ PRKAG1 P54619 2/20 0.55
▸ PRKAA2 P54646 2/20 0.55
▸ PRKAA1 Q13131 2/20 0.55
▸ PRKAG3 Q9UGI9 2/20 0.55
▸ PRKAG2 Q9UGJ0 2/20 0.55
▸ PRKAB1 Q9Y478 2/20 0.55
▸ EZH2 Q15910 1/20 0.39
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ SLC6A2 P23975 3/20 0.31
▸ SLC6A4 P31645 3/20 0.31
▸ SLC6A3 Q01959 3/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL12579303 0.92 PRKAB2 (0.54) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4219827 0.92 PRKAB2 (0.54) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8211569 0.86 AQP1 (0.44) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226179 0.86 AQP1 (0.70) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225611 0.86 PRKAB2 (0.62) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225662 0.86 AQP1 (0.44) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226043 0.84 AQP1 (0.56) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5795152 0.84 AQP1 (0.56) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4218760 0.83 AQP1 (0.56) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5791604 0.83 PRKAB2 (0.61) 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 52 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
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 — — 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-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-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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
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

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

For each of this compound's patents that has machine-readable text (7 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 3262/4885PRKAB2 3384/4885PRKAG1 3443/4885
US-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885PRKAB2 2840/4885PRKAG1 2552/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE AQP1 1312/4885PRKAB2 2928/4885PRKAG1 3153/4885
US-20060258739-A1 Dihydrobenzofuran derivatives and uses therof HTR1F, HTR2C, HTR3D AQP1 3184/4885PRKAB2 4363/4885PRKAG1 4343/4885
US-20060258713-A1 Treatment of pain OPRL1, OPRK1, OPRD1 AQP1 694/4885PRKAB2 2785/4885PRKAG1 2694/4885
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.