SCHEMBL4221944

SCHEMBL4221944

CNCC1Cc2cc(C)cc(-c3cccc(Cl)c3)c2O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.55
SOS1 Q07889 1/20 0.40
EZH2 Q15910 1/20 0.39
CHRM1 P11229 3/20 0.38
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
ALOX15 P16050 1/20 0.33
MAOB P27338 1/20 0.33
KCNA3 P22001 1/20 0.33
PDE4B Q07343 1/20 0.33
ESR2 Q92731 1/20 0.33
S1PR4 O95977 1/20 0.32
CA12 O43570 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
SCHEMBL4222567 0.89 AQP1 (0.52) AQP1EZH2HTR1APRKAB2PRKAG1
SCHEMBL4226114 0.87 AQP1 (0.54) AQP1SOS1EZH2CHRM1HTR1A
SCHEMBL4234649 0.87 AQP1 (0.57) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4597007 0.87 AQP1 (0.55) AQP1SOS1EZH2CHRM1HTR1A
SCHEMBL4234817 0.86 AQP1 (0.50) AQP1EZH2CHRM1HTR1AHTR7
SCHEMBL27723633 0.84 AQP1 (0.47) AQP1EZH2HTR7PRKAB2PRKAG1
SCHEMBL4221951 0.84 AQP1 (0.41) AQP1CHRM1HTR1AHTR7PRKAB2
SCHEMBL4225690 0.83 AQP1 (0.77) AQP1EZH2HTR7PRKAB2PRKAG1
SCHEMBL4225639 0.83 AQP1 (0.49) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4220767 0.82 AQP1 (0.64) AQP1EZH2S1PR4

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN claimed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN claimed
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
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
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN claimed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN claimed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN claimed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN claimed
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
US-20060258712-A1 Methods for modulating bladder function WYETH (US) 2006-11-16 US claimed
US-20060258711-A1 Treatment of drug abuse 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
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO 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

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

For each of this compound's patents that has machine-readable text (3 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-20060258711-A1 Treatment of drug abuse OPRK1, OPRM1, ADH1A AQP1 1478/4885SOS1 4467/4885EZH2 2684/4885
US-20060258712-A1 Methods for modulating bladder function PDE3A, PDE3B, PDE2A AQP1 137/4885SOS1 4393/4885EZH2 2556/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885SOS1 2470/4885EZH2 4552/4885

“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.