SCHEMBL6730569

SCHEMBL6730569

COc1cccc(OC)c1CN1CCC(N(CCc2ccccc2)C(=O)Nc2ccc(F)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.54
▸ PPARD Q03181 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ LMNA P02545 2/20 0.50
▸ OPRM1 P35372 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ UBE2M P61081 6/20 0.46
▸ DCUN1D1 Q96GG9 6/20 0.46
▸ C5AR1 P21730 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EEF2K O00418 1/20 0.44
▸ SLC2A1 P11166 2/20 0.44

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
SCHEMBL6717127 0.80 CCR5 (0.57) PPARGPPARDPPARAOPRM1UBE2M
SCHEMBL10447010 0.76 PPARG (0.56) PPARGPPARDPPARARAB9AALDH1A1
SCHEMBL9259746 0.76 PPARG (0.66) PPARGPPARDPPARARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL6731864 0.74 PPARG (0.59) PPARGPPARDPPARARAB9AALDH1A1
SCHEMBL27745186 0.73 UBE2M (0.47) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL10446828 0.72 UBE2M (0.50) PPARGPPARDPPARALMNARAB9A
SCHEMBL10446813 0.72 UBE2M (0.50) PPARGPPARDPPARALMNARAB9A
SCHEMBL12169907 0.72 PPARG (0.51) PPARGPPARDPPARAUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL1449278 0.72 PPARG (0.50) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL1982353 0.70 PPARG (0.42) PPARGPPARDPPARALMNARAB9A

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 PPARG 257/4885PPARD 155/4885PPARA 284/4885

“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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