SCHEMBL4224942

SCHEMBL4224942

Fc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CBr)C2

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.72
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
EZH2 Q15910 1/20 0.34
NOS3 P29474 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL4223679 1.00 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5187644 0.94 AQP1 (0.65) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5187649 0.94 AQP1 (0.65) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5185008 0.88 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4228623 0.87 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4228615 0.87 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596640 0.87 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8254836 0.87 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220558 0.87 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13911343 0.87 AQP1 (0.76) 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 7 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-1802598-A2 ASYMMETRIC SYNTHESIS OF DIHYDROBENZOFURAN DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
WO-2006047288-A2 ASYMMETRIC SYNTHESIS OF DIHYDROBENZOFURAN DERIVATIVES WYETH (US) 2006-05-04 WO disclosed
US-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives WYETH (US) 2006-04-27 US 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 (4 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 1105/4885PRKAB2 2598/4885PRKAG1 2441/4885
US-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives DHFR, DHODH, DPYD AQP1 2577/4885PRKAB2 3831/4885PRKAG1 4373/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885PRKAB2 2598/4885PRKAG1 2441/4885
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.