SCHEMBL1778248

SCHEMBL1778248

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
HSD17B10 Q99714 4/20 0.54
HRH3 Q9Y5N1 1/20 0.53
CCR2 P41597 2/20 0.51
CCR5 P51681 1/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
DPP4 P27487 1/20 0.48
ADRB2 P07550 1/20 0.47
PANK3 Q9H999 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL27741688 0.84 CCR2 (0.55) HRH3CCR2CCR5KCNH2DPP4
SCHEMBL1777401 0.84 CCR2 (0.55) HRH3CCR2CCR5KCNH2DPP4
SCHEMBL28780251 0.84 CCR2 (0.50) HRH3CCR2CCR5KCNH2PANK3
SCHEMBL1777895 0.84 CCR2 (0.50) HRH3CCR2CCR5KCNH2PANK3
SCHEMBL1777343 0.83 CCR2 (0.55) KDM4EHRH3CCR2CCR5KCNH2
SCHEMBL27741680 0.83 CCR2 (0.55) KDM4EHRH3CCR2CCR5KCNH2
SCHEMBL1777729 0.82 HRH3 (0.59) KDM4EHRH3SMN1; SMN2KMT2AHTT
SCHEMBL4650459 0.82 HRH3 (0.59) KDM4EHRH3SMN1; SMN2KMT2AHTT
SCHEMBL27762255 0.81 CCR2 (0.47) KDM4EHRH3CCR2CCR5KCNH2
SCHEMBL1777190 0.81 CCR2 (0.47) KDM4EHRH3CCR2CCR5KCNH2

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 KDM4E 4584/4885HSD17B10 2919/4885HRH3 283/4885

“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.