SCHEMBL367325

SCHEMBL367325

COc1ccc(Cn2cc(C(=O)N(C)OC)c(N3CCOCC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PDE1A P54750 2/20 0.43
PDE1B Q01064 2/20 0.43
PDE1C Q14123 2/20 0.43
KLKB1 P03952 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
FKBP1A P62942 1/20 0.42
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2505349 0.91 AADAT (0.44) SMN1; SMN2AADATKMT2AALDH1A1
SCHEMBL370679 0.80 L3MBTL1 (0.44) SMN1; SMN2KLKB1AADATKMT2AALDH1A1
SCHEMBL368611 0.79 CACNA1G (0.42) SMN1; SMN2KLKB1AADATKMT2AALDH1A1
SCHEMBL2537359 0.79 CACNA1G (0.42) SMN1; SMN2KLKB1AADATKMT2AALDH1A1
SCHEMBL370299 0.79 AADAT (0.43) KLKB1AADATKDM4EKMT2AALDH1A1
SCHEMBL369607 0.78 KLKB1 (0.47) KLKB1AADATKDM4EKMT2ANR1H4
SCHEMBL369221 0.78 CACNA1G (0.41) SMN1; SMN2KLKB1AADATKMT2AALDH1A1
SCHEMBL368790 0.78 KLKB1 (0.47) KLKB1AADAT
SCHEMBL369521 0.77 CACNA1G (0.43) SMN1; SMN2KLKB1AADATKMT2AALDH1A1
SCHEMBL370600 0.76 KLKB1 (0.43) PDE1APDE1BPDE1CKLKB1AADAT

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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 SMN1; SMN2 1485/4885PDE1A 450/4885PDE1B 420/4885

“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.