SCHEMBL5046982

SCHEMBL5046982

CCOC(=O)c1nc(-c2cc(C(=O)N(C)C3CCCCC3)c(C)n2CCOC)cs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ITK Q08881 3/20 0.39
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM1 Q13255 3/20 0.35
WDR5 P61964 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL5043897 0.95 MAPT (0.41) TSHRITKMAPTTDP1NR1H4
SCHEMBL5045675 0.85 ALDH1A1 (0.42) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL5046983 0.83 GSK3B (0.41) MAPTTDP1NR1H4ALDH1A1MEN1
SCHEMBL5043901 0.79 MAPT (0.45) MAPTTDP1ALDH1A1MEN1LMNA
SCHEMBL5043763 0.74 ALDH1A1 (0.37) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL5043782 0.73 CTSK (0.36) MAPTTDP1NR1H4ALDH1A1LMNA
SCHEMBL5039641 0.72 ALDH1A1 (0.52) MAPTTDP1ALDH1A1MEN1LMNA
SCHEMBL6069264 0.71 MEN1 (0.37) MAPTTDP1ALDH1A1MEN1LMNA
SCHEMBL5045678 0.69 ALDH1A1 (0.41) TSHRTDP1ALDH1A1MEN1LMNA
SCHEMBL5043762 0.68 ALDH1A1 (0.43) TSHRMAPTALDH1A1MEN1LMNA

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 TSHR 98/4885ITK 1526/4885MAPT 3334/4885

“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.