SCHEMBL1778633

SCHEMBL1778633

O=C([C@H]1CN(C2CC2)CCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.69
KCNH2 Q12809 4/20 0.69
DPP4 P27487 1/20 0.53
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CCR5 P51681 1/20 0.47
HTT P42858 4/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
NOTUM Q6P988 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB1 P08588 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL1778164 0.96 CCR2 (0.64) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL1777773 0.95 CCR2 (0.63) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL1778194 0.84 CCR2 (0.68) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL1778965 0.83 CCR2 (0.51) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL1943882 0.82 CCR2 (1.00) CCR2KCNH2MAPTCCR5LMNA
SCHEMBL1778669 0.82 KCNH2 (0.54) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL4650399 0.82 KCNH2 (0.54) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL1777769 0.81 CCR2 (0.70) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL12603432 0.81 CCR2 (0.70) CCR2KCNH2DPP4MAPTSMN1; SMN2
SCHEMBL1777766 0.81 CCR2 (0.70) CCR2KCNH2DPP4MAPTSMN1; SMN2

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 1735/4885DPP4 3389/4885

“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.