SCHEMBL8005575

SCHEMBL8005575

CC[C@@H]1OC[C@H](Cc2c[nH]cn2)N1C(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BLM P54132 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCHE P06276 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL15694025 0.92 BCHE (0.33) HTR1AABCB1BLMKDM4EMEN1
SCHEMBL8008476 0.79 CETP (0.31) —
SCHEMBL12551199 0.77 KMT2A (0.33) HTR1ACASP1CASP7KMT2A
SCHEMBL15693085 0.73 KMT2A (0.32) HTR1AKMT2AALDH1A1
SCHEMBL12551202 0.71 KMT2A (0.32) KMT2A
SCHEMBL15694049 0.71 ATM (0.32) —
SCHEMBL15693076 0.62 — —
SCHEMBL9870623 0.62 AR (0.33) —
SCHEMBL9745242 0.62 RAB9A (0.44) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12551209 0.62 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722714-B2 Oxazolidine derivatives as NMDA antagonists The Honk Kong University of Science and Technology (CN) 2014-05-13 — — US disclosed
US-20110144168-A1 OXAZOLIDINE DERIVATIVES AS NMDA ANTAGONISTS BIOTECHNOLOGY RESEARCH CORPORATION LIMITED (CN) 2011-06-16 — — US disclosed
WO-2009092324-A1 OXAZOLIDINE DERIVATIVES AS NMDA ANTAGONISTS HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2009-07-30 — — 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-20110144168-A1 OXAZOLIDINE DERIVATIVES AS NMDA ANTAGONISTS GRIN1, GRIN2A, GRIN3A HTR1A 728/4885ABCB1 3509/4885BLM 4849/4885

“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.

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