SCHEMBL4158086

SCHEMBL4158086

CC(C)(C(=O)O)C1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.47
SLC6A11 P48066 2/20 0.47
SLC6A13 Q9NSD5 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
SSTR4 P31391 2/20 0.38
CPN1 P15169 2/20 0.38
CPB2 Q96IY4 2/20 0.38
APLNR P35414 2/20 0.33
NOS2 P35228 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC6A12 P48065 1/20 0.33

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
SCHEMBL29508661 0.88 SLC6A1 (0.39) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL16849096 0.88 SLC6A1 (0.39) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL12928738 0.85 SLC6A1 (0.42) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL12928727 0.85 SLC6A1 (0.42) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL12928739 0.85 SLC6A1 (0.42) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL29332278 0.83 SLC6A1 (0.46) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL8283629 0.83 KDM4E (0.48) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL8469891 0.83 KDM4E (0.48) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL1047564 0.81 SLC6A1 (0.40) SLC6A1SLC6A11SLC6A13TSHRLMNA
Hydrochloric Acid SCHEMBL1049250 0.80 SLC6A1 (0.39) SLC6A1SLC6A11SLC6A13TSHRLMNA

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
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 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-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, PTGER2 SLC6A1 2314/4885SLC6A11 2397/4885SLC6A13 3544/4885

“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.