SCHEMBL5200697

SCHEMBL5200697

Cc1cc(Cl)ccc1-c1c(F)ccc2c1O[C@@H](CN)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.59
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
EZH2 Q15910 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NOTUM Q6P988 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PDE4A P27815 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
SCHEMBL8211567 0.88 AQP1 (0.48) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4621306 0.87 AQP1 (0.47) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220483 0.84 PRKAB2 (0.50) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14113467 0.83 AQP1 (0.80) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226033 0.83 AQP1 (0.80) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14364286 0.82 AQP1 (0.44) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4221086 0.80 AQP1 (0.52) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4226208 0.80 AQP1 (0.55) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8211895 0.77 AQP1 (0.58) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4619385 0.76 AQP1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives DHFR, DHODH, DPYD AQP1 2577/4885PRKAB2 3831/4885PRKAG1 4373/4885

“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.