SCHEMBL1778792

SCHEMBL1778792

Brc1ccc2nc(N3CCN(C[C@@H]4CCCN(CCc5ccccc5)C4)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.46
HTR1A P08908 1/20 0.44
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
PIM1 P11309 1/20 0.43
KCNH2 Q12809 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR7 P34969 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
SCHEMBL1778611 0.88 HRH3 (0.49) CCR2HTR1ACASP1CASP4CASP5
SCHEMBL12603434 0.88 HRH3 (0.49) CCR2HTR1ACASP1CASP4CASP5
SCHEMBL14495610 0.85 CCR2 (0.45) CCR2CASP1CASP4CASP5PIM1
SCHEMBL1779188 0.85 CCR2 (0.45) CCR2CASP1CASP4CASP5PIM1
SCHEMBL1778794 0.80 HTR1A (0.44) CCR2HTR1APIM1KCNH2HRH3
SCHEMBL1777053 0.80 NPC1 (0.57) CCR2CASP1CASP4CASP5PIM1
SCHEMBL1778487 0.79 CCR2 (0.45) CCR2CASP1CASP4CASP5PIM1
SCHEMBL1779939 0.79 CCR2 (0.51) CCR2CASP1CASP4CASP5PIM1
SCHEMBL1779769 0.77 CCR2 (0.47) CCR2HTR1ACASP1CASP4CASP5
SCHEMBL1777607 0.74 HRH4 (0.48) CCR2KCNH2

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 9 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
EP-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 EP 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
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 1/4885HTR1A 934/4885CASP1 1780/4885

“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.