Sugi Predict

Sugi Predict / Compounds / SCHEMBL4233589

SCHEMBL4233589

SCHEMBL4233589

CN(CC1Cc2cccc(-c3c(Cl)cccc3Cl)c2O1)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 1/20 0.38
▸ FABP4 P15090 2/20 0.36
▸ 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
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL4596670 0.94 PRKAB2 (0.37) AQP1FABP4PRKAB2PRKAG1PRKAA2
SCHEMBL4220797 0.93 FABP4 (0.37) FABP4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4224652 0.87 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4225822 0.85 AQP1 (0.44) AQP1FABP4PRKAB2PRKAG1PRKAA2
SCHEMBL6374684 0.83 PTGER1 (0.38) AQP1SIGMAR1LMNAALDH1A1
SCHEMBL4231201 0.82 CYP11B1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596601 0.82 MEN1 (0.36) AQP1ALDH1A1L3MBTL1
SCHEMBL6368626 0.82 AQP1 (0.40) AQP1FABP4PRKAB2PRKAG1PRKAA2
SCHEMBL4220403 0.79 AQP1 (0.40) AQP1FABP4PRKAB2PRKAG1PRKAA2
SCHEMBL4595335 0.78 GPBAR1 (0.36) AQP1ALDH1A1L3MBTL1

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
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
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

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 1105/4885FABP4 845/4885PRKAB2 2598/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885FABP4 845/4885PRKAB2 2598/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885FABP4 1490/4885PRKAB2 2184/4885

“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.