SCHEMBL1778136

SCHEMBL1778136

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.53
CCR5 P51681 1/20 0.53
KCNH2 Q12809 1/20 0.53
ADAMTS5 Q9UNA0 8/20 0.44
MMP13 P45452 4/20 0.44
ADAM17 P78536 1/20 0.44
MMP2 P08253 4/20 0.43
SSTR1 P30872 2/20 0.41
SSTR3 P32745 2/20 0.41
MMP14 P50281 1/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1777748 0.91 CCR2 (0.58) CCR2CCR5KCNH2ADAMTS5MMP13
SCHEMBL27762260 0.91 CCR2 (0.58) CCR2CCR5KCNH2ADAMTS5MMP13
SCHEMBL4789079 0.88 CCR2 (0.53) CCR2CCR5KCNH2CYP1A2
SCHEMBL1778289 0.88 CCR2 (0.53) CCR2CCR5KCNH2CYP1A2
SCHEMBL1778821 0.86 CCR2 (0.54) CCR2CCR5KCNH2ROCK2CYP3A4
SCHEMBL28776156 0.85 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL1779318 0.85 CCR2 (0.59) CCR2CCR5KCNH2
SCHEMBL1776803 0.85 CCR2 (0.58) CCR2CCR5KCNH2
SCHEMBL1777766 0.85 CCR2 (0.70) CCR2CCR5KCNH2
SCHEMBL1777769 0.85 CCR2 (0.70) CCR2CCR5KCNH2

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
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
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 1/4885CCR5 2/4885KCNH2 1735/4885

“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.