SCHEMBL536888

SCHEMBL536888

COc1ccc(CNCC(C)CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
ERAP2 Q6P179 1/20 0.56
CHRM2 P08172 1/20 0.51
DNM1 Q05193 1/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.48
DPP7 Q9UHL4 2/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL15819968 0.83 ANPEP (0.59) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL6492794 0.83 ANPEP (0.59) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL6499108 0.83 ANPEP (0.59) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL23367774 0.82 ANPEP (0.58) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL23134555 0.82 ANPEP (0.55) ANPEPERAP2CHRM2DNM1ALDH1A1
Hydrochloric Acid SCHEMBL30945857 0.81 ANPEP (0.56) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL17238292 0.81 ANPEP (0.56) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL8142976 0.81 ANPEP (0.54) ANPEPERAP2CHRM2DNM1ALDH1A1
SCHEMBL17904691 0.80 HTT (0.54) ANPEPERAP2DNM1ALDH1A1MEN1
SCHEMBL21245400 0.79 ANPEP (0.63) ANPEPERAP2CHRM2DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
US-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-04-19 US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 EP disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 WO 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-20120095216-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES PSEN1, MAPT, PSEN2 ANPEP 1596/4885ERAP2 2251/4885CHRM2 732/4885

“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.