SCHEMBL1777137

SCHEMBL1777137

CC(C)(C)N1CCN[C@H](C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.52
KCNH2 Q12809 4/20 0.51
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CCR5 P51681 1/20 0.48
DPP4 P27487 1/20 0.48
HTT P42858 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL12603460 1.00 CCR2 (0.52) CCR2KCNH2MAPTSMN1; SMN2CCR5
SCHEMBL1777752 1.00 CCR2 (0.52) CCR2KCNH2MAPTSMN1; SMN2CCR5
SCHEMBL1780201 0.91 CCR2 (0.50) CCR2KCNH2CCR5
SCHEMBL1778346 0.91 CCR2 (0.50) CCR2KCNH2CCR5
SCHEMBL1779594 0.91 CCR2 (0.50) CCR2KCNH2CCR5
SCHEMBL1777890 0.90 CCR2 (0.50) CCR2KCNH2MAPTSMN1; SMN2CCR5
SCHEMBL4699615 0.90 CCR2 (0.50) CCR2KCNH2MAPTSMN1; SMN2CCR5
SCHEMBL1778309 0.90 CCR2 (0.50) CCR2KCNH2MAPTSMN1; SMN2CCR5
SCHEMBL12603462 0.90 CCR2 (0.50) CCR2KCNH2MAPTSMN1; SMN2CCR5
SCHEMBL1778194 0.85 CCR2 (0.68) CCR2KCNH2MAPTSMN1; SMN2CCR5

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
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 CCR2 1/4885KCNH2 1735/4885MAPT 4777/4885

“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.