SCHEMBL5044606

SCHEMBL5044606

CCCCNC(=O)c1cc(-c2csc(C3CCCCC3)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
SLC6A4 P31645 3/20 0.44
DNM1L O00429 2/20 0.39
CNR1 P21554 1/20 0.38
HPGD P15428 2/20 0.37
RORC P51449 1/20 0.37
FLT3 P36888 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
GAS6 Q14393 2/20 0.35
CA12 O43570 6/20 0.35
CA1 P00915 6/20 0.35
CA2 P00918 6/20 0.35
CA3 P07451 6/20 0.35
CA6 P23280 6/20 0.35
CA5A P35218 6/20 0.35
CA7 P43166 6/20 0.35
CA9 Q16790 6/20 0.35
CA14 Q9ULX7 6/20 0.35

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
SCHEMBL5049144 0.86 HTR2A (0.43) HTR2AHTR2CSLC6A4CNR1HPGD
SCHEMBL5040295 0.85 DNM1L (0.36) DNM1LHPGD
SCHEMBL5046013 0.85 HTR2A (0.45) HTR2AHTR2CSLC6A4HPGD
SCHEMBL6881444 0.84 NOTUM (0.47) HTR2AHTR2CSLC6A4DNM1LCNR1
SCHEMBL5045693 0.84 HTR2A (0.45) HTR2AHTR2CSLC6A4HPGD
SCHEMBL5043561 0.84 HTR2A (0.45) HTR2AHTR2CSLC6A4RORC
SCHEMBL5044961 0.83 HTR2A (0.46) HTR2AHTR2CSLC6A4CNR1HPGD
SCHEMBL5047859 0.83 HTR2A (0.49) HTR2AHTR2CSLC6A4CNR1HPGD
SCHEMBL5044023 0.83 HTR2A (0.44) HTR2AHTR2CSLC6A4CNR1
SCHEMBL5048633 0.83 HTR2A (0.49) HTR2AHTR2CSLC6A4

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.