SCHEMBL1778611

SCHEMBL1778611

c1ccc(CCN2CCC[C@@H](CN3CCN(c4ccc5ccccc5n4)CC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
CCR2 P41597 2/20 0.48
HTR3A P46098 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
THPO P40225 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
PDE10A Q9Y233 2/20 0.45
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTR1A P08908 3/20 0.43
KDM2B Q8NHM5 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL12603434 1.00 HRH3 (0.49) HRH3CCR2HTR3AKDM4EALDH1A1
SCHEMBL1778792 0.88 CCR2 (0.46) HRH3CCR2CASP1CASP4CASP5
SCHEMBL1777053 0.87 NPC1 (0.57) CCR2HTR3AKDM4EALDH1A1HRH4
SCHEMBL1778487 0.86 CCR2 (0.45) CCR2KDM4EPDE10ACASP1CASP4
SCHEMBL1779939 0.85 CCR2 (0.51) CCR2PDE10ACASP1CASP4CASP5
SCHEMBL1779769 0.82 CCR2 (0.47) CCR2ALDH1A1CASP1CASP4CASP5
SCHEMBL1777668 0.81 HRH3 (0.63) HRH3CCR2HTR3AKDM4EALDH1A1
SCHEMBL1777673 0.81 HRH3 (0.63) HRH3CCR2HTR3AKDM4EALDH1A1
SCHEMBL12603436 0.81 HRH3 (0.63) HRH3CCR2HTR3AKDM4EALDH1A1
SCHEMBL1777607 0.80 HRH4 (0.48) CCR2CYP1A2HRH4KCNH2

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 HRH3 283/4885CCR2 1/4885HTR3A 641/4885

“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.