SCHEMBL30037451

SCHEMBL30037451

O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.65
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RIPK1 Q13546 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL10737933 1.00 PIK3CD (0.65) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10737940 1.00 PIK3CD (0.65) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10469223 0.84 PIK3CD (0.61) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2459843 0.84 PIK3CD (0.61) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9028110 0.84 PIK3CD (0.61) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9028119 0.84 PIK3CD (0.61) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19711142 0.82 PIK3CD (0.70) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19701904 0.79 PIK3CD (1.00) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19711143 0.79 PIK3CD (0.66) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15125838 0.77 TSHR (0.56) PIK3CDGAA

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-20230355550-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2023-11-09 US disclosed
US-11753378-B2 Ketamine compounds and processes for making and using them ZEVRA THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2022-11-03 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 (3 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-11753378-B2 Ketamine compounds and processes for making and using them OPRK1, GRIK3, GRIN3B PIK3CD 203/4885CHRNB2 1044/4885CHRNB4 1155/4885
US-20230355550-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B PIK3CD 203/4885CHRNB2 1044/4885CHRNB4 1155/4885
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B PIK3CD 203/4885CHRNB2 1044/4885CHRNB4 1155/4885

“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.