SCHEMBL21220099

SCHEMBL21220099

Cc1oc(=O)oc1COC(=O)NC1(c2ccccc2Cl)CCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 4/20 0.50
▸ GRIN2A Q12879 4/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50
▸ GRIN3A Q8TCU5 2/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ TSHR P16473 1/20 0.38

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
SCHEMBL21231890 1.00 GRIN1 (0.50) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL3993491 0.83 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL3990887 0.81 GRIN1 (0.55) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL21231892 0.81 SIGMAR1 (0.34) —
SCHEMBL31757292 0.79 TSHR (0.54) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL21166718 0.79 TSHR (0.54) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL29209237 0.79 GRIN1 (0.67) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL19688701 0.79 GRIN1 (0.67) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL4408028 0.78 GRIN1 (0.56) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL19386242 0.75 GRIN1 (0.68) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B

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-3533444-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF National University Corporation Chiba University (JP) 2019-09-04 — — EP claimed
US-20190240184-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-08-08 — — US claimed
EP-3533444-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF National University Corporation Chiba University (JP) 2019-09-04 — — EP disclosed
US-20190240184-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-08-08 — — US 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-20190240184-A1 PHARMACEUTICAL APPLICATIONS FOR (S)-NORKETAMINE AND SALTS THEREOF SYMPK, KHK, BCKDK GRIN1 281/4885GRIN2A 198/4885SLC6A4 4/4885

“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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