SCHEMBL19734038

SCHEMBL19734038

CCCCS(=O)(=O)N1CCCC[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMYD3 Q9H7B4 3/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
FKBP1A P62942 2/20 0.37
AKR1C3 P42330 3/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7864214 0.93 FKBP1A (0.43) ALDH1A1MAPTSMYD3PSEN1PSEN2
SCHEMBL8817322 0.90 FKBP1A (0.44) ALDH1A1MAPTSMYD3PSEN1PSEN2
SCHEMBL16480385 0.84 ALDH1A1 (0.42) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL30621167 0.83 PSEN1 (0.47) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL19734091 0.83 SMYD3 (0.41) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL10289670 0.82 SMYD3 (0.43) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL19734197 0.81 SMYD3 (0.44) ALDH1A1SMYD3PSEN1PSEN2APH1B
SCHEMBL19734075 0.81 SMYD3 (0.43) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL21350707 0.79 SMYD3 (0.41) ALDH1A1SMYD3PSEN1PSEN2APH1B
SCHEMBL19734176 0.78 SMYD3 (0.41) ALDH1A1SMYD3PSEN1PSEN2APH1B

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-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 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 (2 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 ALDH1A1 1032/4885MAPT 3826/4885SMYD3 1/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 ALDH1A1 1032/4885MAPT 3826/4885SMYD3 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.