SCHEMBL5043780

SCHEMBL5043780

CCCCC(CC)CNC(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 2/20 0.33
CNR1 P21554 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5133261 0.89 ALDH1A1 (0.38) TSHRHTTL3MBTL1ADORA3ADORA2A
SCHEMBL5045868 0.88 TSHR (0.39) TSHRGLAHTTL3MBTL1ADORA3
SCHEMBL5039361 0.86 TSHR (0.38) CTSKHTR2AHTR2CSLC6A4TSHR
SCHEMBL5043762 0.85 ALDH1A1 (0.43) TSHRGLAHTTL3MBTL1ADORA3
SCHEMBL5045678 0.78 ALDH1A1 (0.41) TSHRHTTL3MBTL1LMNATDP1
SCHEMBL5043782 0.78 CTSK (0.36) CTSKHTTLMNACNR1TDP1
SCHEMBL5046957 0.78 ALDH1A1 (0.41) TSHRHTTL3MBTL1LMNATDP1
SCHEMBL5043901 0.78 MAPT (0.45) CTSKHTTADORA3ADORA2AADORA1
SCHEMBL5046983 0.77 GSK3B (0.41) CTSKHTTADORA3ADORA2AADORA1
SCHEMBL5044606 0.76 HTR2A (0.44) HTR2AHTR2CSLC6A4CNR1

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 CTSK 3351/4885HTR2A 602/4885HTR2C 274/4885

“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.