SCHEMBL1778491

SCHEMBL1778491

CC(c1ccccc1)N1CCCC(CN2CCN(c3ccc4cccnc4n3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PDE10A Q9Y233 2/20 0.40
CCR5 P51681 1/20 0.36
PARP1 P09874 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 2/20 0.36
LRRK2 Q5S007 1/20 0.35
OGA O60502 3/20 0.35
HTR7 P34969 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4811316 0.91 SORD (0.41) PIM1PDE10AKDM4EALDH1A1LMNA
SCHEMBL1778333 0.87 KDM4E (0.51) PDE10AKDM4EALDH1A1LMNAHPGD
SCHEMBL1779944 0.83 KCNH2 (0.40) PIM1PDE10ACCR5PARP1KDM4E
SCHEMBL1777057 0.80 NPC1 (0.49) PIM1PDE10ACCR5KDM4EALDH1A1
SCHEMBL1778794 0.80 HTR1A (0.44) PIM1CCR5KDM4EALDH1A1LMNA
SCHEMBL1778487 0.79 CCR2 (0.45) PIM1PDE10AKDM4E
SCHEMBL1777611 0.75 CYP1A2 (0.46) PIM1CCR5ALDH1A1LMNASMN1; SMN2
SCHEMBL1779775 0.75 HTR1A (0.39) CCR5KDM4EALDH1A1LMNAHPGD
SCHEMBL1778440 0.73 CCR5 (0.46) CCR5ALDH1A1LMNASMN1; SMN2
SCHEMBL1778435 0.73 CCR5 (0.46) CCR5ALDH1A1LMNASMN1; SMN2

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 PIM1 2025/4885PDE10A 2315/4885CCR5 2/4885

“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.