SCHEMBL1778346

SCHEMBL1778346

CC(C)(C)N1CCNC(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.50
ADAMTS5 Q9UNA0 2/20 0.43
MMP2 P08253 1/20 0.43
KCNH2 Q12809 3/20 0.42
MMP13 P45452 1/20 0.42
PRCP P42785 2/20 0.41
CCR5 P51681 1/20 0.40

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
SCHEMBL1780201 1.00 CCR2 (0.50) CCR2ADAMTS5MMP2KCNH2MMP13
SCHEMBL1779594 1.00 CCR2 (0.50) CCR2ADAMTS5MMP2KCNH2MMP13
SCHEMBL1777137 0.91 CCR2 (0.52) CCR2KCNH2CCR5
SCHEMBL12603460 0.91 CCR2 (0.52) CCR2KCNH2CCR5
SCHEMBL1777752 0.91 CCR2 (0.52) CCR2KCNH2CCR5
SCHEMBL1777748 0.84 CCR2 (0.58) CCR2ADAMTS5MMP2KCNH2MMP13
SCHEMBL27762260 0.84 CCR2 (0.58) CCR2ADAMTS5MMP2KCNH2MMP13
SCHEMBL2490255 0.83 CCR2 (0.63) CCR2KCNH2CCR5
SCHEMBL12603462 0.81 CCR2 (0.50) CCR2ADAMTS5KCNH2CCR5
SCHEMBL1777890 0.81 CCR2 (0.50) CCR2ADAMTS5KCNH2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
CN-101384582-A Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2009-03-11 CN disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 CCR2 1/4885ADAMTS5 4753/4885MMP2 1545/4885

“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.