SCHEMBL1779190

SCHEMBL1779190

CC(c1ccccc1)N1CCCC(CN2CCN(c3ncc4cc(Br)ccc4n3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
PIM1 P11309 1/20 0.37
GHSR Q92847 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 4/20 0.36
TRPA1 O75762 1/20 0.36
HTR3A P46098 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
CCR2 P41597 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
CCR5 P51681 1/20 0.34
ATM Q13315 1/20 0.34
KAT2B Q92831 2/20 0.34
TRPC5 Q9UL62 1/20 0.34
TLR4 O00206 1/20 0.34
TLR9 Q9NR96 1/20 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
SCHEMBL1778794 0.86 HTR1A (0.44) PIM1GHSRKCNH2CCR2HTR1A
SCHEMBL14495610 0.81 CCR2 (0.45) PIM1MEN1KMT2AKCNH2TRPA1
SCHEMBL1779188 0.81 CCR2 (0.45) PIM1MEN1KMT2AKCNH2TRPA1
SCHEMBL1777057 0.77 NPC1 (0.49) PIM1MEN1KMT2AHTR3AHRH4
SCHEMBL1778333 0.76 KDM4E (0.51) HTR3AHRH4HTR1A
SCHEMBL1779775 0.76 HTR1A (0.39) GHSRKCNH2CCR2HTR1AHRH1
SCHEMBL1777611 0.74 CYP1A2 (0.46) PIM1GHSRMEN1KMT2AKCNH2
SCHEMBL1779189 0.72 OGA (0.38) OGAKMT2AHTR3AHRH4ATM
SCHEMBL1778491 0.71 PIM1 (0.41) OGAPIM1HTR1AHTR7CCR5
SCHEMBL1778435 0.71 CCR5 (0.46) MEN1KMT2AKCNH2CCR2HRH1

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 OGA 4011/4885PIM1 2025/4885GHSR 2399/4885

“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.