SCHEMBL3211615

SCHEMBL3211615

Cc1ccccc1-c1cccc2c1O[C@@H](CN)CN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
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
BRD4 O60885 5/20 0.33
CREBBP Q92793 5/20 0.33
CASR P41180 1/20 0.33
HTR7 P34969 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 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
SCHEMBL3216852 1.00 PKM (0.35) PKMHTR2CHTR2AHTR2BPRKAB2
SCHEMBL3222181 1.00 PKM (0.35) PKMHTR2CHTR2AHTR2BPRKAB2
SCHEMBL3218102 0.90 PRKAB2 (0.34) PKMHTR2CHTR2AHTR2BPRKAB2
SCHEMBL3213753 0.90 PRKAB2 (0.34) PKMHTR2CHTR2AHTR2BPRKAB2
SCHEMBL3218165 0.90 PRKAB2 (0.34) PKMHTR2CHTR2AHTR2BPRKAB2
SCHEMBL2687113 0.87 BRD4 (0.43) PKMHTR2CHTR2AHTR2BPRKAB2
SCHEMBL3219451 0.85 PRKAB2 (0.40) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3211812 0.85 DPP4 (0.37) HTR2CHTR2AHTR2BPRKAB2PRKAG1
SCHEMBL3220862 0.85 PRKAB2 (0.40) HTR2CHTR2BPRKAB2PRKAG1PRKAA2
SCHEMBL3209908 0.85 DPP4 (0.37) HTR2CHTR2AHTR2BPRKAB2PRKAG1

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
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO 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 PKM 2610/4885HTR2C 1/4885HTR2A 5/4885

“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.