SCHEMBL5043897

SCHEMBL5043897

CCOC(=O)c1nc(-c2cc(C(=O)N(C)C3CCCCC3)c(C)n2CCCOC)cs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 2/20 0.38
ITK Q08881 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
GRM1 Q13255 3/20 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
SCHEMBL5046982 0.95 TSHR (0.42) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5043901 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5045675 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL5043763 0.80 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5046983 0.79 GSK3B (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5039641 0.78 ALDH1A1 (0.52) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5043762 0.74 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5043782 0.73 CTSK (0.36) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL6069264 0.73 MEN1 (0.37) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5047164 0.69 POLB (0.49) MAPTALDH1A1KMT2ALMNAHTT

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 959/4885KMT2A 4280/4885

“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.