SCHEMBL3199525

SCHEMBL3199525

NC[C@@H]1CNc2cccc(-c3c(Cl)cc(Cl)cc3Cl)c2O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.39
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CA2 P00918 1/20 0.32
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL3199594 1.00 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3210939 1.00 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3222302 0.92 AQP1 (0.36) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3218216 0.92 AQP1 (0.36) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3212268 0.92 AQP1 (0.36) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3207333 0.91 AQP1 (0.33) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3207129 0.91 AQP1 (0.41) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3214846 0.91 AQP1 (0.33) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3205932 0.91 AQP1 (0.41) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3207832 0.91 AQP1 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R AQP1 2125/4885PRKAB2 2961/4885PRKAG1 2626/4885

“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.