SCHEMBL21488050

SCHEMBL21488050

[CH2]OC(=O)[C@H](C)NC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.33
METAP1 P53582 6/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BIRC2 Q13490 1/20 0.32
LMNA P02545 1/20 0.32
CA14 Q9ULX7 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL13912232 0.81 CA14 (0.48) MEN1KMT2ABIRC2LMNACA14
SCHEMBL13912228 0.81 CA14 (0.48) MEN1KMT2ABIRC2LMNACA14
SCHEMBL14521614 0.81 CA14 (0.48) MEN1KMT2ABIRC2LMNACA14
SCHEMBL21488518 0.79 GAA (0.39) MEN1KMT2ACA14TSHRRECQL
SCHEMBL21488489 0.78 CA12 (0.35) CNR2MEN1KMT2ABIRC2CA14
SCHEMBL13912230 0.76 METAP2 (0.53) METAP2METAP1KDM4EALDH1A1HPGD
SCHEMBL13981338 0.74 CA12 (0.39) METAP2METAP1MEN1KMT2ACA14
SCHEMBL13985698 0.74 CA12 (0.39) METAP2METAP1MEN1KMT2ACA14
SCHEMBL13981339 0.74 CA12 (0.39) METAP2METAP1MEN1KMT2ACA14
SCHEMBL21488593 0.72 CA2 (0.34) ALDH1A1

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-20190322618-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2019-10-24 US claimed
EP-4384145-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2024-06-19 EP disclosed
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-09-14 US disclosed
US-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives XWPharma Ltd. (KY) 2023-07-04 US disclosed
US-20230098084-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-03-30 US disclosed
WO-2023018966-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES XWPharma Ltd. (KY) 2023-02-16 WO disclosed
US-20190322618-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF XWPharma Ltd. (KY) 2019-10-24 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 (4 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-20190322618-A1 KETAMINE DERIVATIVES AND COMPOSITIONS THEREOF OPRK1, KCNK10, KCNK17 METAP2 4741/4885METAP1 4704/4885CNR2 199/4885
US-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives OPRK1, KCNK5, KCNK17 METAP2 4639/4885METAP1 4678/4885CNR2 399/4885
US-20230098084-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 METAP2 4639/4885METAP1 4678/4885CNR2 399/4885
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 METAP2 4639/4885METAP1 4678/4885CNR2 399/4885

“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.