SCHEMBL1779188

SCHEMBL1779188

Brc1ccc2nc(N3CCN(C[C@@H]4CCCN(CCc5ccccc5)C4)CC3)ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.45
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
KCNH2 Q12809 2/20 0.41
PIM1 P11309 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EHMT2 Q96KQ7 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
TRPA1 O75762 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL14495610 1.00 CCR2 (0.45) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL1778792 0.85 CCR2 (0.46) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL1779190 0.81 OGA (0.40) CCR2KCNH2PIM1MEN1KMT2A
SCHEMBL1777053 0.76 NPC1 (0.57) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL1778611 0.75 HRH3 (0.49) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL12603434 0.75 HRH3 (0.49) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL1779769 0.74 CCR2 (0.47) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL1777607 0.72 HRH4 (0.48) CCR2KCNH2HRH4
SCHEMBL1778487 0.70 CCR2 (0.45) CCR2CASP1CASP4CASP5KCNH2
SCHEMBL23199603 0.70 HTR3A (0.51) HTR3AHRH4

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 6 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

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 1/4885CASP1 1780/4885CASP4 1979/4885

“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.