SCHEMBL5048633

SCHEMBL5048633

CCCCNC(=O)c1cc(-c2csc(-c3cccc(C)c3)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
HTR2C P28335 4/20 0.49
SLC6A4 P31645 4/20 0.49
KLKB1 P03952 7/20 0.46
KLK1 P06870 4/20 0.46
TP53 P04637 6/20 0.45
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
MDM2 Q00987 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL5046013 0.91 HTR2A (0.45) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5044355 0.91 KLKB1 (0.48) HTR2AHTR2CSLC6A4KLKB1TP53
SCHEMBL5043561 0.89 HTR2A (0.45) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5045693 0.89 HTR2A (0.45) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5047859 0.88 HTR2A (0.49) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5044023 0.88 HTR2A (0.44) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5045669 0.88 HTR2A (0.43) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5044423 0.87 MAPT (0.44) HTR2AHTR2CSLC6A4TP53MAPT
SCHEMBL5047031 0.87 HTR2A (0.43) HTR2AHTR2CSLC6A4KLKB1KLK1
SCHEMBL5043875 0.87 ALDH1A1 (0.47) HTR2AHTR2CSLC6A4KLKB1KLK1

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 10 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 claimed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US claimed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed
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 HTR2A 602/4885HTR2C 274/4885SLC6A4 968/4885

“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.