SCHEMBL16479529

SCHEMBL16479529

CC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
NPY5R Q15761 5/20 0.39
ADRA2A P08913 1/20 0.39
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
TYK2 P29597 5/20 0.37
JAK3 P52333 5/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
PARG Q86W56 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
SCHEMBL16479566 1.00 GBA1 (0.40) GBA1NPY5RADRA2AJAK2JAK1
SCHEMBL2841819 0.91
SCHEMBL16420722 0.83 GBA1 (0.40) GBA1NPY5RADRA2AJAK2JAK1
SCHEMBL8260964 0.83 MEN1 (0.40) GBA1NPY5RADRA2AJAK2JAK1
SCHEMBL8391559 0.82 ADH1B (0.41) GBA1NPY5RADRA2AJAK2JAK1
SCHEMBL5783979 0.82 ADH1B (0.41) GBA1NPY5RADRA2AJAK2JAK1
SCHEMBL16479552 0.81 CA2 (0.42) GBA1MEN1ALDH1A1CYP2C9KMT2A
SCHEMBL22527341 0.81 CYP2D6 (0.39) GBA1NPY5RADRA2AJAK2JAK1
SCHEMBL16479531 0.81 CA2 (0.42) GBA1MEN1ALDH1A1CYP2C9KMT2A
SCHEMBL1542985 0.81 GBA1 (0.39) GBA1NPY5RADRA2AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133128-B2 Pyrazole derivatives as cannabinoid receptor 1 antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-09-15 US disclosed
US-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2014-04-17 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-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS CNR1, CNR2, GPR119 GBA1 2518/4885NPY5R 71/4885ADRA2A 319/4885

“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.