SCHEMBL3216668

SCHEMBL3216668

Cc1ccccc1-c1cccc2c1O[C@H](CN)CN2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.40
SIRT1 Q96EB6 2/20 0.36
HTR7 P34969 2/20 0.35
CASR P41180 1/20 0.35
HTR2C P28335 3/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
ABCB1 P08183 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 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
SCHEMBL3216444 1.00 NISCH (0.40) NISCHSIRT1HTR7CASRHTR2C
SCHEMBL3199621 1.00 NISCH (0.40) NISCHSIRT1HTR7CASRHTR2C
SCHEMBL3214122 0.87 PRKAB2 (0.39) NISCHSIRT1HTR7CASRHTR2C
SCHEMBL3205443 0.87 PRKAB2 (0.39) NISCHSIRT1HTR7CASRHTR2C
SCHEMBL3205683 0.87 NISCH (0.36) NISCHSIRT1CASRPRKAB2PRKAG1
SCHEMBL3220800 0.87 PRKAB2 (0.39) NISCHSIRT1HTR7CASRHTR2C
SCHEMBL3205941 0.87 NISCH (0.36) NISCHSIRT1CASRPRKAB2PRKAG1
SCHEMBL3205638 0.87 NISCH (0.36) NISCHSIRT1CASRPRKAB2PRKAG1
SCHEMBL3205244 0.86 PRKAB2 (0.38) NISCHHTR7CASRPRKAB2PRKAG1
SCHEMBL3213865 0.86 PRKAB2 (0.38) NISCHHTR7CASRPRKAB2PRKAG1

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 1472/4885SIRT1 1698/4885HTR7 16/4885

“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.