SCHEMBL6011445

SCHEMBL6011445

CC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
GPR119 Q8TDV5 13/20 0.54
KDM4E B2RXH2 2/20 0.48
STS P08842 2/20 0.46
PKM P14618 1/20 0.45

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 0.86 GPR119 (0.71) GPR119
SCHEMBL6011574 0.86 GPR119 (0.58) GPR119KDM4ESTSPKM
SCHEMBL28978030 0.86 GPR119 (0.58) GPR119STS
SCHEMBL7607099 0.85 GPR119 (0.57) GPR119STS
SCHEMBL6011384 0.85 GPR119 (0.57) GPR119KDM4ESTSPKM
SCHEMBL8444728 0.85 KDM4E (0.58) GPR119KDM4ESTSPKM
SCHEMBL6011602 0.84 GPR119 (0.56) GPR119STS
SCHEMBL6011400 0.83 GPR119 (0.57) GPR119KDM4ESTSPKM
SCHEMBL14782744 0.83 ALDH1A1 (0.60) ALDH1A1LMNAMAPTGPR119KDM4E
SCHEMBL5724845 0.83 TGFBR1 (0.61) ALDH1A1LMNAMAPTKDM4E

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 ALDH1A1 1378/4885LMNA 2541/4885MAPT 3669/4885

“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.