SCHEMBL4596236

SCHEMBL4596236

Cc1cccc(C)c1-c1cccc2c1OC(N(C)C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PARP1 P09874 3/20 0.37
HTR7 P34969 2/20 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
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
FFAR1 O14842 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPT P10636 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
SCHEMBL4596574 0.90 ALDH1A1 (0.40) MYCALDH1A1MAPK1PARP1HTR7
SCHEMBL4596752 0.85 RAB9A (0.38) ALDH1A1MAPK1PARP1HTR7PRKAB2
SCHEMBL4225937 0.84 HTR7 (0.43) ALDH1A1PARP1HTR7PRKAB2PRKAG1
SCHEMBL4596419 0.81 CAMKK2 (0.39) HTR7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15758969 0.81 PARP1 (0.38) ALDH1A1PARP1HTR7PRKAB2PRKAG1
SCHEMBL4596973 0.81 HTR1A (0.41) ALDH1A1PARP1HTR7PRKAB2PRKAG1
SCHEMBL4595383 0.81 HTR7 (0.43) ALDH1A1PARP1HTR7PRKAB2PRKAG1
SCHEMBL4597609 0.81 HTR7 (0.43) ALDH1A1PARP1HTR7PRKAB2PRKAG1
SCHEMBL4595391 0.81 HTR1A (0.41) ALDH1A1PARP1HTR7SMN1; SMN2HTR1A
SCHEMBL6047985 0.80 ALDH1A1 (0.34) MYCALDH1A1MAPK1SMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A MYC 3942/4885ALDH1A1 283/4885MAPK1 3097/4885

“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.