SCHEMBL6717127

SCHEMBL6717127

O=C(Nc1ccc(F)cc1F)N(CCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 15/20 0.57
▸ PPARG P37231 1/20 0.54
▸ PPARD Q03181 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ UBE2M P61081 2/20 0.49
▸ DCUN1D1 Q96GG9 2/20 0.49
▸ OPRM1 P35372 1/20 0.48

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
SCHEMBL6730569 0.80 PPARG (0.54) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10447010 0.78 PPARG (0.56) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL9259746 0.78 PPARG (0.66) PPARGPPARDPPARAUBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL6731864 0.76 PPARG (0.59) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL9260551 0.73 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL6699061 0.71 CCR5 (0.86) CCR5
SCHEMBL9270367 0.71 UBE2M (0.52) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL9270364 0.71 UBE2M (0.52) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL9265071 0.71 PPARG (0.54) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL27745186 0.70 UBE2M (0.47) PPARGPPARDPPARAUBE2MDCUN1D1

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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 — — US disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 — — EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 — — 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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 CCR5 1/4885PPARG 257/4885PPARD 155/4885

“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.

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