SCHEMBL6335294

SCHEMBL6335294

CCOC(=O)CSC1CNC(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CTSC P53634 3/20 0.37
ARG1 P05089 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL6329716 1.00 ALOX15 (0.39) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3
SCHEMBL4871737 0.79 CTSC (0.47) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL26115582 0.78 CTSC (0.46) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3
SCHEMBL4868082 0.74 CYP2D6 (0.42) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3
SCHEMBL31631313 0.73 MGAM (0.44) CYP1A2CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7435804 0.72 ALOX15 (0.40) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3
SCHEMBL7435809 0.72 ALOX15 (0.40) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3
SCHEMBL21798099 0.71 MGAM (0.41) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL3703287 0.71 KMT2A (0.42) CYP2D6ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL17706816 0.70 CYP2D6 (0.58) ALOX15CYP1A2CYP2D6CYP2C19SLC1A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953805-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-11 US disclosed
US-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS FILLA SANDRA A (US) 2005-08-04 US disclosed
EP-1351951-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-10-15 EP disclosed
WO-2002053555-A2 PYRROLIDINYLMETHYL- AND PIPERIDINYL SUBSTITUTED DECAHYDROISOQUINOLINES AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-07-11 WO 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-20050170999-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, SLC1A3 ALOX15 958/4885CYP1A2 2214/4885CYP2D6 2059/4885

“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.