SCHEMBL2891609

SCHEMBL2891609

c1ccc(CN2CCOc3nc(OC(C4CC4)C4CC4)ccc3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
DRD4 P21917 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
PTGER2 P43116 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2C P18825 1/20 0.36
GRM5 P41594 1/20 0.36
FAAH O00519 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL2883235 0.91 PTGER2 (0.38) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL2889094 0.81 KDM4E (0.44) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL2889221 0.79 PTGER2 (0.40) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL2888948 0.77 PTGER2 (0.42) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL2891460 0.77 OPRM1 (0.42) CYP1A2SIGMAR1DRD4PTGER2FAAH
SCHEMBL2110977 0.77 CYP1A2 (0.45) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL13970695 0.76 MEN1 (0.44) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL2111899 0.76 CYP1A2 (0.44) CYP1A2TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL2887318 0.75 KDM4E (0.44) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL1325988 0.74 DRD4 (0.37) DRD4PTGER2NPC1RAB9AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213675-B1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-08-14 EP disclosed
US-8329687-B2 Pyridooxazepine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-2213675-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-04 EP 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-20100286120-A1 PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF HTR2C, HTR2A, TPH2 CYP1A2 152/4885TMEM97 837/4885SIGMAR1 257/4885

“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.