SCHEMBL21488083

SCHEMBL21488083

C[CH]OC(=O)CN(C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DPP4 P27487 1/20 0.30
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6932628 0.79
SCHEMBL2909351 0.75 MGAM (0.46) CHRM1CA12CA1CA2CA9
SCHEMBL21488882 0.73 CHRM1 (0.37) CHRM1CA12CA1CA2CA9
SCHEMBL7668945 0.71 CA12 (0.64) CHRM1CA12CA1CA2CA9
SCHEMBL6102651 0.71 OPRK1 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL18342946 0.71 KMT2A (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL21667825 0.70 TSHR (0.42) CHRM1CA12CA1CA2CA9
SCHEMBL2803666 0.70 GAA (0.35) CHRM1CA12CA1CA2CA9
SCHEMBL2840542 0.68 CA12 (0.46) CHRM1CA12CA1CA2CA9
SCHEMBL2804678 0.68 CA12 (0.41) CHRM1CA12CA1CA2CA9

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 CHRM1 2113/4885CA12 4848/4885CA1 4399/4885
US-11690811-B2 Pharmaceutical compositions and oral dosage forms of ketamine derivatives OPRK1, KCNK5, KCNK17 CHRM1 612/4885CA12 4117/4885CA1 2641/4885
US-20230098084-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 CHRM1 612/4885CA12 4117/4885CA1 2641/4885
US-20230285325-A1 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF KETAMINE DERIVATIVES OPRK1, KCNK5, KCNK17 CHRM1 612/4885CA12 4117/4885CA1 2641/4885

“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.