SCHEMBL5043975

SCHEMBL5043975

CCc1cc(-c2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3Cc3ccc(OC)cc3)cs2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.46
KLK1 P06870 6/20 0.42
SREBF2 Q12772 3/20 0.41
POLB P06746 1/20 0.40
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
AVPR1B P47901 1/20 0.39
EIF4E P06730 1/20 0.39
SREBF1 P36956 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5043921 0.91 KLKB1 (0.52) KLKB1KLK1POLBOXTRAVPR1A
SCHEMBL5045028 0.88 SREBF2 (0.41) KLKB1KLK1SREBF2POLBSREBF1
SCHEMBL5039865 0.88 SREBF2 (0.43) KLKB1KLK1SREBF2EIF4ESREBF1
SCHEMBL5044818 0.87 KLKB1 (0.48) KLKB1KLK1SREBF2EIF4ESREBF1
SCHEMBL5044843 0.86 ALDH1A1 (0.45) KLKB1KLK1SREBF2POLBSREBF1
SCHEMBL5044964 0.86 KLKB1 (0.47) KLKB1KLK1SREBF2EIF4ESREBF1
SCHEMBL5133244 0.86 KLKB1 (0.40) KLKB1KLK1SREBF2EIF4ESREBF1
SCHEMBL5048631 0.86 KLKB1 (0.47) KLKB1KLK1SREBF2POLBEIF4E
SCHEMBL5048671 0.86 SREBF2 (0.42) KLKB1KLK1SREBF2SREBF1MEN1
SCHEMBL5047596 0.84 KLKB1 (0.49) KLKB1KLK1POLBOXTRAVPR1A

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 KLKB1 3949/4885KLK1 3547/4885SREBF2 2076/4885

“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.