SCHEMBL1779944

SCHEMBL1779944

CC(c1ccccc1)N1CCCC(CN2CCN(c3ccc4cccc(Cl)c4n3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
CCR2 P41597 1/20 0.40
PDE10A Q9Y233 1/20 0.40
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
PARP1 P09874 2/20 0.38
KAT2B Q92831 2/20 0.37
PIM1 P11309 1/20 0.37
PTGES O14684 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
CCR5 P51681 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GHSR Q92847 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL1778333 0.86 KDM4E (0.51) PDE10AKDM4EALDH1A1LMNAHPGD
SCHEMBL1778491 0.83 PIM1 (0.41) PDE10APARP1PIM1KDM4ECCR5
SCHEMBL1779939 0.80 CCR2 (0.51) KCNH2CCR2PDE10APARP1PIM1
SCHEMBL1778794 0.79 HTR1A (0.44) KCNH2CCR2HRH1CCR3PIM1
SCHEMBL1777057 0.77 NPC1 (0.49) PDE10AKAT2BPIM1KDM4EMAPT
SCHEMBL4811316 0.75 SORD (0.41) PDE10APIM1KDM4EALDH1A1LMNA
SCHEMBL1777611 0.74 CYP1A2 (0.46) KCNH2CCR2HRH1CCR3KAT2B
SCHEMBL1779775 0.74 HTR1A (0.39) KCNH2CCR2HRH1CCR3KDM4E
SCHEMBL1778440 0.72 CCR5 (0.46) KCNH2CCR2HRH1CCR3KAT2B
SCHEMBL1778435 0.72 CCR5 (0.46) KCNH2CCR2HRH1CCR3KAT2B

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 2 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-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 KCNH2 1735/4885CCR2 1/4885PDE10A 2315/4885

“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.