SCHEMBL1781543

SCHEMBL1781543

CN1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6625172 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL7533067 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL22994670 0.88 HSD17B10 (0.43) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL13779901 0.87 NR1H2 (0.42) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL29097169 0.84 NR1H2 (0.51) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL19617652 0.84 NR1H2 (0.51) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL31740849 0.84 NR1H2 (0.51) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL18027 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2NR1H2USP2LMNA
SCHEMBL2364954 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2NR1H2USP2LMNA
SCHEMBL22227 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2NR1H2USP2LMNA

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
CN-101384582-A Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2009-03-11 CN 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 HSD17B10 2919/4885SMN1; SMN2 4257/4885NR1H2 174/4885

“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.