SCHEMBL13930704

SCHEMBL13930704

COc1ccc(NC(=O)CC2CCN([C@H](C)CN(c3ccc(C(=N)N)cc3)S(=O)(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 1/20 0.46
▸ UBE2M P61081 3/20 0.46
▸ DCUN1D1 Q96GG9 3/20 0.46
▸ EPHX2 P34913 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PLAU P00749 1/20 0.41
▸ HPN P05981 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GPR183 P32249 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
SCHEMBL13930718 0.93 TPSAB1 (0.51) TPSAB1UBE2MDCUN1D1GRIN1GRIN2B
SCHEMBL13930716 0.92 UBE2M (0.46) UBE2MDCUN1D1EPHX2SMN1; SMN2MEN1
SCHEMBL13930707 0.92 UBE2M (0.44) TPSAB1UBE2MDCUN1D1EPHX2SMN1; SMN2
SCHEMBL13930712 0.92 SMN1; SMN2 (0.49) UBE2MDCUN1D1EPHX2SMN1; SMN2MEN1
SCHEMBL13930692 0.91 UBE2M (0.49) UBE2MDCUN1D1EPHX2SMN1; SMN2MEN1
SCHEMBL13930717 0.86 UBE2M (0.45) UBE2MDCUN1D1EPHX2SMN1; SMN2MEN1
SCHEMBL13930715 0.85 UBE2M (0.46) UBE2MDCUN1D1EPHX2SMN1; SMN2MEN1
SCHEMBL13952184 0.84 OPRM1 (0.45) UBE2MDCUN1D1EPHX2MAPTLMNA
SCHEMBL13930670 0.83 OPRM1 (0.47) LMNAGRIN1GRIN2BALDH1A1
SCHEMBL13930730 0.83 UBE2M (0.51) UBE2MDCUN1D1RAB9ANPC1

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 TPSAB1 1951/4885UBE2M 3695/4885DCUN1D1 3824/4885

“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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