SCHEMBL1779447

SCHEMBL1779447

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
ALK Q9UM73 2/20 0.45
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1777754 1.00 MAPT (0.54) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL12603492 0.92 MAPT (0.50) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL12603512 0.90 MAPT (0.48) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL12603493 0.89 MAPT (0.50) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL1781010 0.89 MAPT (0.47) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL1779177 0.88 MAPT (0.49) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL1778609 0.88 MAPT (0.47) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL1776964 0.88 MAPT (0.46) MAPTSMN1; SMN2HTTMAPK1RAB9A
SCHEMBL1778317 0.88 CNR1 (0.47) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL1779350 0.87 MAPT (0.46) MAPTSMN1; SMN2HTTMAPK1RAB9A

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 8 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
EP-1966187-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2008-09-10 EP 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 MAPT 4777/4885SMN1; SMN2 4257/4885HTT 4706/4885

“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.