SCHEMBL2883235

SCHEMBL2883235

CC(Oc1ccc2c(n1)OCCN(Cc1ccccc1)C2)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.38
GRM5 P41594 1/20 0.37
DRD4 P21917 2/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
HPGD P15428 1/20 0.36
DRD3 P35462 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36

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
SCHEMBL2891609 0.91 CYP1A2 (0.37) PTGER2GRM5DRD4CYP1A2TMEM97
SCHEMBL1325988 0.84 DRD4 (0.37) PTGER2GRM5DRD4GMNNALDH1A1
SCHEMBL2913656 0.82 MEN1 (0.50) DRD4TP53DRD3TMEM97SIGMAR1
SCHEMBL2889221 0.81 PTGER2 (0.40) PTGER2GRM5DRD4DRD3CYP1A2
SCHEMBL2889094 0.80 KDM4E (0.44) PTGER2GRM5DRD4ALDH1A1HPGD
SCHEMBL2111899 0.77 CYP1A2 (0.44) PTGER2DRD4LMNACYP2D6DRD3
SCHEMBL2888948 0.77 PTGER2 (0.42) PTGER2GRM5DRD4CYP1A2TMEM97
SCHEMBL2891460 0.77 OPRM1 (0.42) PTGER2DRD4ALDH1A1CYP3A4CYP2D6
SCHEMBL2890616 0.76 CYP1A2 (0.39) PTGER2DRD4DRD3CYP1A2TMEM97
SCHEMBL2110977 0.76 CYP1A2 (0.45) PTGER2DRD4ALDH1A1CYP2D6CYP1A2

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 PTGER2 30/4885GRM5 117/4885DRD4 181/4885

“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.