SCHEMBL1778562

SCHEMBL1778562

Cc1cccc(N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.53
CCR5 P51681 1/20 0.53
KCNH2 Q12809 1/20 0.53
ADAM10 O14672 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NOTUM Q6P988 1/20 0.43
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 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
SCHEMBL4649649 1.00 CCR2 (0.53) CCR2CCR5KCNH2ADAM10MMP2
SCHEMBL1776803 0.89 CCR2 (0.58) CCR2CCR5KCNH2CA12CA1
SCHEMBL27741686 0.89 CCR2 (0.58) CCR2CCR5KCNH2CA12CA1
SCHEMBL27741680 0.88 CCR2 (0.55) CCR2CCR5KCNH2ALDH1A1MAPT
SCHEMBL1777343 0.88 CCR2 (0.55) CCR2CCR5KCNH2ALDH1A1MAPT
SCHEMBL1781132 0.86 CCR2 (0.54) CCR2CCR5KCNH2ADRB1ALDH1A1
SCHEMBL1778821 0.86 CCR2 (0.54) CCR2CCR5KCNH2ADRB1ALDH1A1
SCHEMBL27741829 0.85 CCR2 (0.50) CCR2CCR5KCNH2ADAM10MAPK1
SCHEMBL1779098 0.85 POLB (0.56) CCR2CCR5KCNH2ALDH1A1MAPT
SCHEMBL1777769 0.83 CCR2 (0.70) CCR2CCR5KCNH2ALDH1A1MAPT

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.