SCHEMBL5044134

SCHEMBL5044134

COCCn1c(-c2csc(-c3ccccc3Cl)n2)cc(C(=O)NCC2CCCCC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.45
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
IDH1 O75874 1/20 0.40
NPC1 O15118 2/20 0.39
PPARG P37231 1/20 0.39
P2RX7 Q99572 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 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
SCHEMBL5043784 0.95 ALDH1A1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5048580 0.88 CHRM1 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5044010 0.88 ALDH1A1 (0.45) CHRM1NPC1PPARGP2RX7MEN1
SCHEMBL5048566 0.88 KMT2A (0.44) CHRM1PPARGMEN1KMT2AALDH1A1
SCHEMBL5047024 0.85 ALDH1A1 (0.46) CHRM1HTR2AHTR2CSLC6A4NPC1
SCHEMBL5044250 0.85 MAPT (0.52) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL5045853 0.84 HPGD (0.43) IDH1NPC1PPARGMEN1KMT2A
SCHEMBL5043427 0.84 GSK3B (0.44) IDH1PPARGP2RX7MEN1KMT2A
SCHEMBL5043868 0.83 KLKB1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5048625 0.83 HTR2A (0.46) CHRM1HTR2AHTR2CSLC6A4IDH1

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 CHRM1 373/4885CHRM2 555/4885CHRM4 556/4885

“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.