SCHEMBL1779588

SCHEMBL1779588

O=C(O)N1CCCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
HTT P42858 5/20 0.58
MAPT P10636 3/20 0.58
NOTUM Q6P988 1/20 0.57
LMNA P02545 5/20 0.55
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CNR1 P21554 1/20 0.53
KMT2A Q03164 1/20 0.52

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
SCHEMBL1778856 0.86 POLB (0.69) POLBHTTMAPTLMNATSHR
SCHEMBL10993938 0.85 POLB (0.90) POLBHTTMAPTNOTUMLMNA
SCHEMBL1777975 0.84 POLB (0.72) POLBHTTMAPTNOTUMLMNA
SCHEMBL3099652 0.84 POLB (0.80) POLBHTTMAPTNOTUMLMNA
SCHEMBL3106867 0.84 POLB (0.80) POLBHTTMAPTNOTUMLMNA
SCHEMBL18544724 0.83 NOTUM (0.73) POLBHTTMAPTNOTUMLMNA
SCHEMBL3098342 0.83 POLB (0.81) POLBHTTMAPTNOTUMLMNA
SCHEMBL3099667 0.83 POLB (0.81) POLBHTTMAPTNOTUMLMNA
SCHEMBL631027 0.82 LMNA (0.70) POLBHTTMAPTLMNATSHR
SCHEMBL27741677 0.81 POLB (0.67) POLBHTTMAPTNOTUMLMNA

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 4 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-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 POLB 868/4885HTT 4706/4885MAPT 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.