SCHEMBL4587250

SCHEMBL4587250

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
HTT P42858 4/20 0.50
MAPK1 P28482 1/20 0.50
NOTUM Q6P988 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.46
TSHR P16473 1/20 0.46
PANK3 Q9H999 1/20 0.45

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
SCHEMBL1778139 0.89 MAPT (0.46) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL1779615 0.88 MAPT (0.48) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL1779616 0.88 MAPT (0.48) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL4587969 0.87 MAPT (0.45) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL4589136 0.86 MAPT (0.44) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL4586867 0.86 KCNH2 (0.46) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL4588286 0.85 MAPT (0.49) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL4588966 0.85 MAPT (0.47) MAPTSMN1; SMN2HTTMAPK1NOTUM
SCHEMBL1778569 0.84 MAPT (0.48) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL1778567 0.84 MAPT (0.48) MAPTSMN1; SMN2HTTMAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.