SCHEMBL2887318

SCHEMBL2887318

Clc1cccc(Oc2ccc3c(n2)OCCN(Cc2ccccc2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
OPRM1 P35372 4/20 0.42
OPRK1 P41145 4/20 0.42
OPRD1 P41143 3/20 0.42
PTGER2 P43116 2/20 0.42
SIGMAR1 Q99720 4/20 0.41
FAAH O00519 2/20 0.41
TMEM97 Q5BJF2 3/20 0.40
HTR1A P08908 2/20 0.40
DRD4 P21917 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL2889094 0.90 KDM4E (0.44) KDM4EALDH1A1HTTHPGDOPRM1
SCHEMBL2891460 0.89 OPRM1 (0.42) KDM4EALDH1A1HTTHPGDOPRM1
SCHEMBL2888948 0.82 PTGER2 (0.42) OPRM1OPRK1OPRD1PTGER2SIGMAR1
SCHEMBL2887253 0.78 EGLN1 (0.44)
SCHEMBL2889221 0.78 PTGER2 (0.40) PTGER2SIGMAR1TMEM97HTR1ADRD4
SCHEMBL2110977 0.78 CYP1A2 (0.45) ALDH1A1PTGER2SIGMAR1TMEM97DRD4
SCHEMBL2891609 0.75 CYP1A2 (0.37) OPRM1OPRK1OPRD1PTGER2SIGMAR1
SCHEMBL2883235 0.74 PTGER2 (0.38) ALDH1A1HPGDPTGER2SIGMAR1FAAH
SCHEMBL2111899 0.74 CYP1A2 (0.44) PTGER2SIGMAR1TMEM97HTR1ADRD4
SCHEMBL13970695 0.74 MEN1 (0.44) PTGER2SIGMAR1TMEM97DRD4HTR2B

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 KDM4E 2609/4885ALDH1A1 1018/4885HTT 2785/4885

“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.