SCHEMBL4226935

SCHEMBL4226935

CNCC1Cc2cc(-c3ccccc3)cc(-c3ccccc3C)c2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.48
HRH3 Q9Y5N1 3/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
SLC6A9 P48067 1/20 0.33
EZH2 Q15910 1/20 0.33
CREBBP Q92793 1/20 0.32
HTR6 P50406 1/20 0.32
SLC6A2 P23975 2/20 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
SCHEMBL4230563 0.88 AQP1 (0.57) AQP1HRH3PRKAB2PRKAG1PRKAA2
SCHEMBL4226249 0.88 AQP1 (0.52) AQP1HRH3ALDH1A1PRKAB2PRKAG1
SCHEMBL4224733 0.87 AQP1 (0.47) AQP1HRH3NPC1HPGDRAB9A
SCHEMBL4220857 0.86 AQP1 (0.45) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226674 0.86 AQP1 (0.49) AQP1HRH3NPC1HPGDTSHR
SCHEMBL4230589 0.85 PRKAB2 (0.46) AQP1HRH3ALDH1A1NPC1HPGD
SCHEMBL5202177 0.84 AQP1 (0.67) AQP1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL4222349 0.84 AQP1 (0.67) AQP1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL4230970 0.83 AQP1 (0.55) AQP1HRH3PRKAB2PRKAG1PRKAA2
SCHEMBL4224303 0.83 AQP1 (0.54) AQP1HRH3ALDH1A1SMN1; SMN2PRKAB2

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 10 patents. 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-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-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO 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 1105/4885HRH3 182/4885ALDH1A1 190/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885HRH3 182/4885ALDH1A1 190/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885HRH3 58/4885ALDH1A1 283/4885

“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.