SCHEMBL22061820

SCHEMBL22061820

CC(=O)NC(CC(C)C)C(=O)OC(C)OC(=O)N[C@]1(c2ccccc2Cl)CCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.46
▸ GRIN2A Q12879 3/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ GRIN2D O15399 2/20 0.46
▸ GRIN3B O60391 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ GRIN2C Q14957 2/20 0.46
▸ GRIN3A Q8TCU5 2/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL22061819 1.00 GRIN1 (0.46) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL30272976 0.86 GRIN1 (0.46) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL21220101 0.85 GRIN1 (0.55) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL25034623 0.82 KMT2A (0.48) GRIN1GRIN2ASLC6A4OPRK1MEN1
SCHEMBL22061804 0.82 KMT2A (0.48) GRIN1GRIN2ASLC6A4OPRK1MEN1
SCHEMBL30277986 0.82 KMT2A (0.48) GRIN1GRIN2ASLC6A4OPRK1MEN1
SCHEMBL30277978 0.82 KMT2A (0.48) GRIN1GRIN2ASLC6A4OPRK1MEN1
SCHEMBL21166625 0.82 KMT2A (0.48) GRIN1GRIN2ASLC6A4OPRK1MEN1
SCHEMBL4407465 0.80 GRIN1 (0.61) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL22061811 0.79 GRIN1 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683262-B2 Ketamine derivatives and compositions thereof XW LABORATORIES INC. (KY) 2020-06-16 — — 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-10683262-B2 Ketamine derivatives and compositions thereof OPRK1, KCNK10, KCNK17 GRIN1 74/4885GRIN2A 54/4885SLC6A4 81/4885

“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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