SCHEMBL29967173

SCHEMBL29967173

CN(CC[C@H](O)c1cccs1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 2/20 0.38
ALOX5 P09917 1/20 0.36
RIPK1 Q13546 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KEAP1 Q14145 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTSK P43235 2/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL20309012 1.00 GBA1 (0.45) GBA1NPC1RAB9AKMT2AHTR1A
SCHEMBL29457634 1.00 GBA1 (0.45) GBA1NPC1RAB9AKMT2AHTR1A
SCHEMBL5914972 0.85 KDM4E (0.40) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL6382070 0.83 NPC1 (0.39) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL5914946 0.83 ALOX5 (0.40) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL5915046 0.83 NPC1 (0.39) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL5915071 0.83 NPC1 (0.39) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL5914996 0.83 ALOX5 (0.40) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL5914931 0.82 NPC1 (0.43) NPC1RAB9AKMT2AHTR1AALOX5
SCHEMBL5914977 0.82 NPC1 (0.43) NPC1RAB9AKMT2AHTR1AALOX5

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-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-08-02 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-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 GBA1 1769/4885NPC1 823/4885RAB9A 2129/4885

“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.