SCHEMBL5043901

SCHEMBL5043901

CCOC(=O)c1nc(-c2cc(C(=O)NCC3CCCCC3)c(C)n2CCCOC)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.42
GSK3B P49841 1/20 0.40
POLB P06746 2/20 0.40
HTR4 Q13639 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 1/20 0.36
PDE10A Q9Y233 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL5046983 0.95 GSK3B (0.41) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5039641 0.85 ALDH1A1 (0.52) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5045678 0.84 ALDH1A1 (0.41) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL5043897 0.84 MAPT (0.41) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5132199 0.82 MAPT (0.59) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5039321 0.81 KLKB1 (0.45) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5043784 0.81 ALDH1A1 (0.44) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5044843 0.81 ALDH1A1 (0.45) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5039249 0.81 MAPT (0.53) MAPTALDH1A1MEN1LMNACRHBP
SCHEMBL5043762 0.80 ALDH1A1 (0.43) MAPTALDH1A1MEN1LMNACRHBP

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 MAPT 3334/4885ALDH1A1 959/4885MEN1 2160/4885

“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.