SCHEMBL1776803

SCHEMBL1776803

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.58
CCR5 P51681 1/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 3/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
DPP4 P27487 1/20 0.48
PANK3 Q9H999 1/20 0.47

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
SCHEMBL27741686 1.00 CCR2 (0.58) CCR2CCR5KCNH2ALDH1A1HTR1A
SCHEMBL4649649 0.89 CCR2 (0.53) CCR2CCR5KCNH2ALDH1A1LMNA
SCHEMBL1778562 0.89 CCR2 (0.53) CCR2CCR5KCNH2ALDH1A1LMNA
SCHEMBL1778354 0.89 CCR2 (0.60) CCR2CCR5KCNH2KMT2AMEN1
SCHEMBL28776156 0.88 CCR2 (0.59) CCR2CCR5KCNH2ALDH1A1KMT2A
SCHEMBL1779318 0.88 CCR2 (0.59) CCR2CCR5KCNH2ALDH1A1KMT2A
SCHEMBL27741680 0.88 CCR2 (0.55) CCR2CCR5KCNH2ALDH1A1KMT2A
SCHEMBL1777343 0.88 CCR2 (0.55) CCR2CCR5KCNH2ALDH1A1KMT2A
SCHEMBL1777766 0.87 CCR2 (0.70) CCR2CCR5KCNH2ALDH1A1KMT2A
SCHEMBL1777769 0.87 CCR2 (0.70) CCR2CCR5KCNH2ALDH1A1KMT2A

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 7 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
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 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-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.