SCHEMBL20489673

SCHEMBL20489673

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc2ncccc2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.46
AADAT Q8N5Z0 2/20 0.45
GRIN2B Q13224 2/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
FAAH O00519 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4525177 1.00 PREP (0.46) PREPAADATGRIN2BKLK7KLK5
SCHEMBL204569 0.80 AADAT (0.44) PREPAADATKLK7KLK5TMEM97
SCHEMBL29277932 0.80 PREP (0.52) PREPAADATGRIN2BKLK7KLK5
SCHEMBL4220121 0.79 PREP (0.50) PREPAADATKLK7KLK5TMEM97
SCHEMBL10117812 0.79 AADAT (0.46) PREPAADATTMEM97SIGMAR1TSHR
SCHEMBL3224486 0.79 AADAT (0.46) PREPAADATTMEM97SIGMAR1TSHR
SCHEMBL3224476 0.79 AADAT (0.46) PREPAADATTMEM97SIGMAR1TSHR
SCHEMBL8546518 0.78 PTGIR (0.56) PREPAADATKLK7KLK5TMEM97
SCHEMBL7490522 0.78 PTGIR (0.56) PREPAADATKLK7KLK5TMEM97
SCHEMBL7494762 0.78 PTGIR (0.56) PREPAADATKLK7KLK5TMEM97

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-3372601-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2022-09-21 EP disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 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 (2 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 PREP 4021/4885AADAT 1539/4885GRIN2B 382/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 PREP 3994/4885AADAT 1329/4885GRIN2B 371/4885

“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.