SCHEMBL5045004

SCHEMBL5045004

COc1ccc(OCc2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3CC(C)C)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.40
NPC1 O15118 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX5 P09917 3/20 0.39
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL5048929 0.90 MAPT (0.47) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5046850 0.89 MAPT (0.46) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5039249 0.89 MAPT (0.53) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5045076 0.89 MAPT (0.40) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5043773 0.88 L3MBTL1 (0.45) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5044887 0.88 KLKB1 (0.47) POLBMAPTNPC1RAB9AALDH1A1
SCHEMBL5044848 0.87 CDC25A (0.45) POLBMAPTNPC1RAB9AL3MBTL1
SCHEMBL5049140 0.83 PPARD (0.48) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5039634 0.83 MAPT (0.39) POLBMAPTNPC1HSP90AA1RAB9A
SCHEMBL5043686 0.83 HPGD (0.42) POLBMAPTNPC1HSP90AA1RAB9A

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 POLB 4559/4885MAPT 3334/4885NPC1 500/4885

“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.