SCHEMBL6011396

SCHEMBL6011396

CC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.56
TGFBR1 P36897 10/20 0.53
LIMK2 P53671 1/20 0.52

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
SCHEMBL6011356 0.88 GPR119 (0.71) GPR119
SCHEMBL6011574 0.85 GPR119 (0.58) GPR119TGFBR1
SCHEMBL28978030 0.85 GPR119 (0.58) GPR119TGFBR1
SCHEMBL6011384 0.84 GPR119 (0.57) GPR119
SCHEMBL7607099 0.84 GPR119 (0.57) GPR119
SCHEMBL8444728 0.84 KDM4E (0.58) GPR119TGFBR1LIMK2
SCHEMBL1575070 0.84 GPR119 (0.57) GPR119TGFBR1LIMK2
SCHEMBL6011597 0.84 GPR119 (0.57) GPR119
SCHEMBL6011602 0.84 GPR119 (0.56) GPR119
SCHEMBL4771631 0.84 GPR119 (0.59) GPR119TGFBR1LIMK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 GPR119 142/4885TGFBR1 348/4885LIMK2 4342/4885

“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.