SCHEMBL4596687

SCHEMBL4596687

COc1cc2c(c(-c3c(C)cccc3C)c1)OC(CN(C)C(=O)OCc1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
FFAR1 O14842 5/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ATM Q13315 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
SCHEMBL6374684 0.89 PTGER1 (0.38) FFAR1LMNAALDH1A1
SCHEMBL4230194 0.87 PRKAB2 (0.40) FFAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4224652 0.82 PRKAB2 (0.37) CA1CA2ACHEPRKAB2PRKAG1
SCHEMBL4596692 0.82 LPAR1 (0.38) FFAR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6368107 0.80 AQP1 (0.37) FFAR1PTGDR2CHRM5CHRM1CHRM3
SCHEMBL4596571 0.79 PRKAB2 (0.39) CA1CA2ACHEPRKAB2PRKAG1
SCHEMBL4596670 0.78 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4233589 0.78 AQP1 (0.38) ACHEPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596601 0.78 MEN1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL4595207 0.77 PTGDR2 (0.39) CA1CA2ACHEPRKAB2PRKAG1

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 CA1 3990/4885CA2 2836/4885ACHE 662/4885

“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.