SCHEMBL1778637

SCHEMBL1778637

FC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.56
KCNH2 Q12809 4/20 0.56
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ABL1 P00519 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTR7 P34969 1/20 0.44
HSD11B1 P28845 1/20 0.44
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CXCR3 P49682 1/20 0.42
GAA P10253 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 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
SCHEMBL1779131 0.83 CCR2 (0.53) CCR2KCNH2HTR7DRD4CYP3A4
SCHEMBL1778415 0.83 CCR2 (0.64) CCR2KCNH2CYP3A4
SCHEMBL4697183 0.82 DRD2 (0.44) CCR2KCNH2SMN1; SMN2DRD4
Hydrochloric Acid SCHEMBL27620712 0.80 HRH3 (0.61) LMNAKDM4EABL1HRH3SMN1; SMN2
SCHEMBL24008768 0.79 KMT2A (0.47) LMNAKDM4EABL1HRH3SMN1; SMN2
SCHEMBL30596499 0.79 KDM4E (0.46) LMNAKDM4EABL1SMN1; SMN2HTR7
SCHEMBL3967944 0.78 KDM4E (0.58) LMNAKDM4EABL1HRH3SMN1; SMN2
SCHEMBL1778495 0.78 KDM4E (0.57) LMNAKDM4EABL1HRH3SMN1; SMN2
SCHEMBL25219748 0.77 KDM4E (0.55) LMNAKDM4EABL1HRH3SMN1; SMN2
SCHEMBL31067914 0.77 KDM4E (0.55) LMNAKDM4EABL1HRH3SMN1; 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 8 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
CN-101384582-A Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2009-03-11 CN 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 1735/4885LMNA 4191/4885

“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.