SCHEMBL1779098

SCHEMBL1779098

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.50
CCR2 P41597 1/20 0.50
CCR5 P51681 1/20 0.50
KCNH2 Q12809 1/20 0.50
LMNA P02545 5/20 0.49
TSHR P16473 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1779272 0.88 CCR2 (0.51) MEN1KMT2ACCR2CCR5KCNH2
SCHEMBL1776803 0.85 CCR2 (0.58) MEN1KMT2ACCR2CCR5KCNH2
SCHEMBL1778562 0.85 CCR2 (0.53) MAPK1CCR2CCR5KCNH2LMNA
SCHEMBL4649649 0.85 CCR2 (0.53) MAPK1CCR2CCR5KCNH2LMNA
SCHEMBL27741686 0.85 CCR2 (0.58) MEN1KMT2ACCR2CCR5KCNH2
SCHEMBL1777343 0.84 CCR2 (0.55) POLBMEN1KMT2AMAPK1CCR2
SCHEMBL27741680 0.84 CCR2 (0.55) POLBMEN1KMT2AMAPK1CCR2
SCHEMBL1944700 0.83 CCR2 (0.67) CCR2CCR5KCNH2LMNAHTT
SCHEMBL27741829 0.82 CCR2 (0.50) MAPK1CCR2CCR5KCNH2CYP3A4
SCHEMBL1778136 0.81 CCR2 (0.53) CCR2CCR5KCNH2CYP1A2CYP3A4

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 POLB 868/4885MEN1 4863/4885KMT2A 4433/4885

“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.