SCHEMBL4224838

SCHEMBL4224838

CNC[C@H]1Cc2cc(F)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.79
EZH2 Q15910 1/20 0.40
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
MAPT P10636 1/20 0.34
SLC6A2 P23975 9/20 0.32
SLC6A4 P31645 9/20 0.32
SLC6A3 Q01959 5/20 0.32
CYP2D6 P10635 5/20 0.32
CYP2C19 P33261 3/20 0.32
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL4224840 1.00 AQP1 (0.79) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL14112696 0.88 AQP1 (0.62) AQP1CHRM2CHRM1CHRM3DRD2
SCHEMBL4225700 0.88 AQP1 (1.00) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4219199 0.88 AQP1 (0.67) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL4222349 0.88 AQP1 (0.67) AQP1EZH2PRKAB2PRKAG1PRKAA2
SCHEMBL5202177 0.88 AQP1 (0.67) AQP1EZH2PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL4622038 0.87 AQP1 (0.61) AQP1CHRM2CHRM1CHRM3DRD2
SCHEMBL4232178 0.87 AQP1 (0.83) AQP1EZH2MAPTCHRM1CHRM3
SCHEMBL5138435 0.87 AQP1 (1.00) AQP1EZH2CYP2C19TP53
SCHEMBL4235648 0.87 AQP1 (0.60) AQP1EZH2MAPTSLC6A2SLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP 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
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO 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 (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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885PRKAB2 2598/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885EZH2 4552/4885PRKAB2 2598/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885EZH2 4171/4885PRKAB2 2184/4885

“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.