SCHEMBL4596670

SCHEMBL4596670

CN(CC1Cc2cccc(-c3c(Cl)cc(Cl)cc3Cl)c2O1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
FABP4 P15090 1/20 0.35
AQP1 P29972 1/20 0.35
CACNA1H O95180 1/20 0.34
CNR1 P21554 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4233589 0.94 AQP1 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220797 0.90 FABP4 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4224652 0.85 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4220403 0.85 AQP1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6374684 0.85 PTGER1 (0.38) AQP1CACNA1HSIGMAR1ALDH1A1GPBAR1
SCHEMBL4596601 0.84 MEN1 (0.36) AQP1CACNA1HCNR1NPC1ALDH1A1
SCHEMBL6047928 0.82 OXTR (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596626 0.81 AQP1 (0.55) AQP1CACNA1HCNR1NPC1ALDH1A1
SCHEMBL4231201 0.81 CYP11B1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4595335 0.80 GPBAR1 (0.36) AQP1CACNA1HNPC1ALDH1A1MAPT

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 PRKAB2 2184/4885PRKAG1 2809/4885PRKAA2 1346/4885

“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.