SCHEMBL5046983

SCHEMBL5046983

CCOC(=O)c1nc(-c2cc(C(=O)NCC3CCCCC3)c(C)n2CCOC)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CTSK P43235 1/20 0.36
CNR1 P21554 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL5043901 0.95 MAPT (0.45) GSK3BMAPTALDH1A1TDP1MEN1
SCHEMBL5045678 0.85 ALDH1A1 (0.41) GSK3BALDH1A1TDP1MEN1LMNA
SCHEMBL5046982 0.83 TSHR (0.42) MAPTALDH1A1TDP1MEN1LMNA
SCHEMBL5044250 0.81 MAPT (0.52) GSK3BMAPTALDH1A1MEN1LMNA
SCHEMBL5043868 0.81 KLKB1 (0.46) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5044134 0.81 CHRM1 (0.45) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5045028 0.80 SREBF2 (0.41) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5048929 0.80 MAPT (0.47) GSK3BMAPTALDH1A1MEN1LMNA
SCHEMBL5043427 0.80 GSK3B (0.44) GSK3BMAPTALDH1A1MEN1LMNA
SCHEMBL5039641 0.79 ALDH1A1 (0.52) MAPTALDH1A1TDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R GSK3B 3213/4885MAPT 3334/4885ALDH1A1 959/4885

“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.