SCHEMBL5497729

SCHEMBL5497729

COc1cccc(C2CNc3ccc(OC)cc3OC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
CYP19A1 P11511 4/20 0.45
ADRA1A P35348 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5508843 0.88 ALOX15 (0.50) CYP19A1DRD2MAPTMAPK1TDP1
SCHEMBL5499276 0.75 ESR2 (0.43) CYP19A1DRD2ALOX15ALOX12
SCHEMBL21594807 0.72 CYP19A1 (0.54) HTR2CCYP19A1ADRA1ANPC1DRD2
SCHEMBL29042969 0.71 HTR2C (0.60) HTR2CCYP19A1ADRA1AKDM4EMEN1
SCHEMBL22667384 0.71 HTR2C (0.70) HTR2CADRA1AKDM4EMEN1NPC1
SCHEMBL7196340 0.71 SNCA (0.46) HTR2CCYP19A1KDM4EMEN1GAA
SCHEMBL20138519 0.71 HTR1A (0.41) HTR2CCYP19A1MAPK1
SCHEMBL30943223 0.70 TAAR1 (0.33) CYP19A1KDM4EMEN1NPC1GAA
SCHEMBL1268402 0.70 PDE4A (0.62) HTR2CKDM4EKMT2AMAPTMAPK1
SCHEMBL5234050 0.70 HTR2C (0.51) HTR2CCYP19A1ADRA1AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778656-A1 BENZOXAZEPINE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-02 EP disclosed
WO-2006023242-A1 BENZOXAZEPINE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-02 WO disclosed
US-20060040917-A1 Benzoxazepine derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 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-20060040917-A1 Benzoxazepine derivatives as selective estrogen receptor modulators GPER1, ESR2, ESR1 HTR2C 295/4885CYP19A1 8/4885ADRA1A 236/4885

“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.