SCHEMBL13930643

SCHEMBL13930643

CS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCN(CC3CCCCC3)c3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.49
▸ RORC P51449 4/20 0.49
▸ CCR5 P51681 2/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NAMPT P43490 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 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
SCHEMBL13930667 0.90 CA1 (0.46) EPHX2RORCCCR5CA1CA2
SCHEMBL13930644 0.88 CCR5 (0.47) EPHX2RORCCCR5CA1CA2
SCHEMBL13930641 0.87 CA1 (0.51) RORCCCR5CA1CA2CA9
SCHEMBL13930621 0.87 CA1 (0.49) EPHX2RORCCCR5CA1CA2
SCHEMBL13930854 0.86 LMNA (0.50) EPHX2CCR5CA1CA2CA9
SCHEMBL13930632 0.86 CA1 (0.48) EPHX2RORCCCR5CA1CA2
SCHEMBL13930665 0.86 ACHE (0.50) EPHX2RORCCCR5CA1CA2
SCHEMBL13930668 0.86 CA1 (0.45) EPHX2RORCCCR5CA1CA2
SCHEMBL13930656 0.84 LMNA (0.50) CCR5CA1CA2CA9LMNA
SCHEMBL13930659 0.83 ALDH1A1 (0.44) RORCCCR5CA1CA2CA9

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 EPHX2 2311/4885RORC 876/4885CCR5 286/4885

“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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