SCHEMBL19734413

SCHEMBL19734413

CC(C)CCNCC1CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.42
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
OPRK1 P41145 1/20 0.32
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 0.31

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
SCHEMBL4670470 0.92 SAT1 (0.48) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL21743264 0.83 ALDH1A1 (0.46) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL19728163 0.82 ALDH1A1 (0.44) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL19728162 0.79 SAT1 (0.55) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL13766693 0.78 GNAI3 (0.54) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL12156661 0.78 KMT2A (0.45) SAT1ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL16691371 0.78 SAT1 (0.53) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL24540363 0.77 SAT1 (0.52) SAT1MEN1KMT2AGNAI3GNAO1
SCHEMBL16691373 0.76 SAT1 (0.52) SAT1ALDH1A1CYP3A4CYP2C19CYP1A2
SCHEMBL82228 0.75 SAT1 (0.45) SAT1GNAI3GNAO1GNAI1

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 SAT1 597/4885ALDH1A1 1032/4885CYP3A4 4621/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 SAT1 597/4885ALDH1A1 1032/4885CYP3A4 4621/4885

“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.