SCHEMBL3205941

SCHEMBL3205941

CN1C[C@H](CN)Oc2c(-c3ccccc3Cl)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.36
DPP4 P27487 5/20 0.36
SIRT1 Q96EB6 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
GRM2 Q14416 1/20 0.34
AQP1 P29972 1/20 0.34
CASR P41180 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
PTPN11 Q06124 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL3205638 1.00 NISCH (0.36) NISCHDPP4SIRT1SIRT2GRM2
SCHEMBL3205683 1.00 NISCH (0.36) NISCHDPP4SIRT1SIRT2GRM2
SCHEMBL3217849 0.88 AQP1 (0.38) NISCHAQP1KDM4EPRKAB2PRKAG1
SCHEMBL3211637 0.88 AQP1 (0.38) NISCHAQP1KDM4EPRKAB2PRKAG1
SCHEMBL3196324 0.88 AQP1 (0.38) NISCHAQP1KDM4EPRKAB2PRKAG1
SCHEMBL3203345 0.88 AQP1 (0.48) NISCHDPP4AQP1DPP8KDM4E
SCHEMBL3220775 0.88 AQP1 (0.48) NISCHDPP4AQP1DPP8KDM4E
SCHEMBL3220402 0.88 AQP1 (0.48) NISCHDPP4AQP1DPP8KDM4E
SCHEMBL3199621 0.87 NISCH (0.40) NISCHDPP4SIRT1SIRT2CASR
SCHEMBL3216668 0.87 NISCH (0.40) NISCHDPP4SIRT1SIRT2CASR

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 NISCH 1472/4885DPP4 2467/4885SIRT1 1698/4885

“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.