SCHEMBL4595205

SCHEMBL4595205

COc1cccc(-c2cc(F)cc3c2OC(CC(Cc2ccccc2)NC(=O)O)C3)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
MMEL1 Q495T6 3/20 0.36
MME P08473 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 4/20 0.35
ITGB1 P05556 3/20 0.35
ITGA4 P13612 3/20 0.35
ITGB7 P26010 3/20 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
SCHEMBL6372229 0.92 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6368102 0.87 AQP1 (0.40) AQP1MMEKMT2A
SCHEMBL4596622 0.81 AQP1 (0.56) AQP1MME
SCHEMBL4232754 0.80 AQP1 (0.41) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6373731 0.80 AQP1 (0.47) AQP1MMEL1
SCHEMBL4595211 0.78 LMNA (0.38) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596685 0.78 POLB (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4232748 0.77 PRKAB2 (0.43) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220807 0.77 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4791105 0.77 AQP1 (0.48) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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 2 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
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US 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 AQP1 2290/4885PRKAB2 2184/4885PRKAG1 2809/4885

“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.