SCHEMBL4595037

SCHEMBL4595037

CN(C(=O)O)C1Cc2cccc(-c3cccc(Cl)c3)c2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.45
HTR1A P08908 2/20 0.45
CHRM1 P11229 3/20 0.41
SLC6A9 P48067 1/20 0.40
MAP4K4 O95819 1/20 0.37
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TP53 P04637 1/20 0.36
OPRK1 P41145 1/20 0.36
KIF11 P52732 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4595383 0.89 HTR7 (0.43) HTR7HTR1ASLC6A9PRKAB2PRKAG1
SCHEMBL4225937 0.88 HTR7 (0.43) HTR7HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4596359 0.87 HTR7 (0.46) HTR7HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4596419 0.87 CAMKK2 (0.39) HTR7HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4596698 0.85 EDNRB (0.39) HTR7HTR1AKIF11
SCHEMBL4596769 0.84 HTR1A (0.47) HTR7HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4220355 0.83 HTR1A (0.48) HTR7HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4596752 0.83 RAB9A (0.38) HTR7HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL4595391 0.82 HTR1A (0.41) HTR7HTR1ASLC6A9KIF11
SCHEMBL4597609 0.82 HTR7 (0.43) HTR7HTR1APRKAB2PRKAG1PRKAA2

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 HTR7 21/4885HTR1A 7/4885CHRM1 43/4885

“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.