SCHEMBL1778328

SCHEMBL1778328

CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.52
CCR5 P51681 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A7 Q99884 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL1777343 0.93 CCR2 (0.55) CCR2CCR5KCNH2MAPK1MEN1
SCHEMBL27741680 0.93 CCR2 (0.55) CCR2CCR5KCNH2MAPK1MEN1
SCHEMBL1781132 0.87 CCR2 (0.54) CCR2CCR5KCNH2MAPK1POLB
SCHEMBL28776156 0.86 CCR2 (0.59) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL1779318 0.86 CCR2 (0.59) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL1778289 0.86 CCR2 (0.53) CCR2CCR5KCNH2MAPK1SMN1; SMN2
SCHEMBL4789079 0.86 CCR2 (0.53) CCR2CCR5KCNH2MAPK1SMN1; SMN2
SCHEMBL1778450 0.84 CCR2 (0.52) CCR2CCR5KCNH2MAPK1MEN1
SCHEMBL27741713 0.84 CCR2 (0.52) CCR2CCR5KCNH2MAPK1MEN1
SCHEMBL1777310 0.84 MAPT (0.48) CCR2CCR5KCNH2MAPK1SLC6A7

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 7 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
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 1/4885CCR5 2/4885KCNH2 1735/4885

“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.