SCHEMBL1780202

SCHEMBL1780202

O=C([C@H]1CN(CC2CCOC2)CCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.49
KCNH2 Q12809 4/20 0.49
ENPP2 Q13822 2/20 0.45
DPP4 P27487 1/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 1/20 0.41
CCR5 P51681 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPBWR1 P48145 1/20 0.38

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
SCHEMBL1778669 0.90 KCNH2 (0.54) CCR2KCNH2DPP4MAPTHTT
SCHEMBL4650399 0.90 KCNH2 (0.54) CCR2KCNH2DPP4MAPTHTT
SCHEMBL2071974 0.85 CCR2 (0.70) CCR2KCNH2CCR5
SCHEMBL1780257 0.81 CCR2 (0.70) CCR2KCNH2DPP4MAPTHTT
SCHEMBL4589063 0.81 ENPP2 (0.46) ENPP2MAPTHTTMAPK1SMN1; SMN2
SCHEMBL1944090 0.79 CCR2 (0.72) CCR2KCNH2CCR5
SCHEMBL1776874 0.79 HTT (0.53) CCR2KCNH2DPP4MAPTHTT
SCHEMBL1777757 0.79 HTT (0.53) CCR2KCNH2DPP4MAPTHTT
SCHEMBL1778303 0.79 CCR2 (0.53) CCR2KCNH2DPP4MAPTHTT
SCHEMBL1779007 0.79 CCR2 (0.53) CCR2KCNH2DPP4MAPTHTT

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 1/4885KCNH2 1735/4885ENPP2 900/4885

“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.