SCHEMBL3197196

SCHEMBL3197196

NCC1CNc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TRPA1 O75762 3/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
HTR2A P28223 1/20 0.32
SCN9A Q15858 1/20 0.32
NOTUM Q6P988 2/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL3214084 1.00 HTR2C (0.37) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3210648 1.00 HTR2C (0.37) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3222121 0.90 HTR2C (0.35) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3218018 0.90 HTR2C (0.35) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3203150 0.90 HTR2C (0.35) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3213826 0.87 HTR1A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3207665 0.87 HTR1A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3214086 0.87 KMT2A (0.37) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3212211 0.87 KMT2A (0.37) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3196508 0.87 HTR1A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R HTR2C 1/4885HTR2B 9/4885PRKAB2 2961/4885

“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.