SCHEMBL5776786

SCHEMBL5776786

O=C(CC1CCN(CC[C@@H](Cl)c2ccccc2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.56
SLC6A3 Q01959 5/20 0.56
CCR5 P51681 2/20 0.55
BCHE P06276 1/20 0.48
TPSAB1 Q15661 1/20 0.46
SLC6A2 P23975 4/20 0.46
CCR3 P51677 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 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
SCHEMBL5950353 0.88 SLC6A4 (0.59) SLC6A4SLC6A3CCR5SLC6A2CCR3
SCHEMBL5777439 0.88 SLC6A4 (0.59) SLC6A4SLC6A3CCR5SLC6A2CCR3
SCHEMBL13930611 0.79 CCR3 (0.48) SLC6A4SLC6A3CCR5CCR3LMNA
SCHEMBL5779319 0.78 CCR5 (0.52) SLC6A4SLC6A3CCR5SLC6A2CCR3
SCHEMBL13930995 0.76 EPHX2 (0.56) SLC6A4SLC6A3CCR5SLC6A2SMN1; SMN2
SCHEMBL13952187 0.75 EPHX2 (0.55) CCR5TPSAB1CCR3SMN1; SMN2EPHX2
SCHEMBL7082519 0.74 GRM7 (0.53) SLC6A4SLC6A3CCR5SLC6A2
SCHEMBL6011353 0.74 SLC6A3 (0.47) SLC6A4SLC6A3CCR5SLC6A2
SCHEMBL6333237 0.73 CCR3 (0.61) SLC6A3CCR5SLC6A2CCR3
SCHEMBL5276400 0.73 EPHX2 (0.59) CCR3EPHX2

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
EP-1572683-B1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-03-30 US disclosed
EP-1572683-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056808-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 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-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 CCR5, CCR2, CXCR4 SLC6A4 1617/4885SLC6A3 2242/4885CCR5 1/4885

“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.