SCHEMBL13930731

SCHEMBL13930731

COc1ccc(NC(=O)CC2CCN([C@H](C)CN(c3ccccc3)S(=O)(=O)CC3CCC(F)(F)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ UBE2M P61081 2/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL13930692 0.87 UBE2M (0.49) EPHX2MAPTLMNAALDH1A1HPGD
SCHEMBL13930671 0.85 ESR1 (0.35) EPHX2LMNA
SCHEMBL13930687 0.84 OPRM1 (0.38) —
SCHEMBL13930686 0.82 OPRM1 (0.38) —
SCHEMBL13930676 0.82 OPRM1 (0.40) MEN1KMT2APOLB
SCHEMBL13930677 0.82 OPRM1 (0.38) LMNAALDH1A1SMN1; SMN2
SCHEMBL13930716 0.82 UBE2M (0.46) EPHX2MAPTLMNAALDH1A1HPGD
SCHEMBL13930683 0.81 KCNJ6 (0.41) MAPTSMN1; SMN2
SCHEMBL13930712 0.81 SMN1; SMN2 (0.49) EPHX2MAPTLMNAALDH1A1HPGD
SCHEMBL13930682 0.81 OPRM1 (0.37) —

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 2311/4885MAPT 2479/4885LMNA 3911/4885

“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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