SCHEMBL5203385

SCHEMBL5203385

NCC[C@H]1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.69
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
EZH2 Q15910 1/20 0.33
NOS3 P29474 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL4225768 1.00 AQP1 (0.69) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4225668 0.93 AQP1 (0.67) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8254836 0.90 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4959343 0.90 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4220568 0.90 AQP1 (0.72) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL5203050 0.89 AQP1 (0.71) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL4230994 0.89 AQP1 (0.71) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4768274 0.88 AQP1 (0.57) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4230245 0.88 AQP1 (0.62) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4222536 0.88 AQP1 (0.56) 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-1802597-A1 ASYMMETRIC SYNTHESIS OF SUBSTITUTED DIHYDROBENZOFURANS Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
US-20060111438-A1 Asymmetric synthesis of substituted dihydrobenzofurans WYETH (US) 2006-05-25 US disclosed
WO-2006047228-A1 ASYMMETRIC SYNTHESIS OF SUBSTITUTED DIHYDROBENZOFURANS WYETH (US) 2006-05-04 WO 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-20060111438-A1 Asymmetric synthesis of substituted dihydrobenzofurans AR, DHFR, COASY AQP1 2093/4885PRKAB2 4017/4885PRKAG1 4669/4885

“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.