SCHEMBL13930644

SCHEMBL13930644

CS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCN(c3ccccc3)C3CCCCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 6/20 0.47
▸ EPHX2 P34913 2/20 0.47
▸ S1PR1 P21453 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RORC P51449 1/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL3635711 0.91 CCR5 (0.44) CCR5EPHX2CA1CA2CA9
SCHEMBL3639322 0.91 CCR5 (0.46) CCR5CA1CA2CA9LMNA
SCHEMBL13930663 0.91 CCR5 (0.44) CCR5EPHX2CA1CA2CA9
SCHEMBL4254630 0.88 CCR5 (0.43) CCR5EPHX2CA1CA2CA9
SCHEMBL13930643 0.88 EPHX2 (0.49) CCR5EPHX2CA1CA2CA9
SCHEMBL13930657 0.87 LMNA (0.43) CCR5CA1CA2CA9LMNA
SCHEMBL13930621 0.87 CA1 (0.49) CCR5EPHX2CA1CA2CA9
SCHEMBL3639822 0.87 GPR119 (0.47) CCR5
SCHEMBL13930632 0.86 CA1 (0.48) CCR5EPHX2CA1CA2CA9
SCHEMBL13930854 0.86 LMNA (0.50) CCR5EPHX2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US disclosed
US-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use EUROSCREEN S.A. (BE) 2009-02-19 — — US 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-20090048291-A1 Novel Piperidine-4-Acetic Acid Derivatives and Their Use ALDH1A1, ABAT, ALDH18A1 CCR5 286/4885EPHX2 2311/4885S1PR1 1379/4885

“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.

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