SCHEMBL19734430

SCHEMBL19734430

CCCC(CC(C)N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
OPRM1 P35372 1/20 0.40
METAP1 P53582 2/20 0.38
TP53 P04637 1/20 0.32
GRIK1 P39086 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GRIK2 Q13002 1/20 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
SCHEMBL18671411 0.85 OPRM1 (0.48) ALDH1A1TSHRMAPK1OPRM1TP53
SCHEMBL11836555 0.84 METAP1 (0.38) TSHROPRM1METAP1GRIK1SLC1A3
SCHEMBL22336496 0.80 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1OPRM1METAP1
SCHEMBL24998384 0.78 OPRM1 (0.32) ALDH1A1TSHRMAPK1OPRM1METAP1
SCHEMBL7391772 0.78 TSHR (0.33) ALDH1A1TSHRMAPK1METAP1
SCHEMBL6398109 0.77 METAP1 (0.32) ALDH1A1METAP1
SCHEMBL14754396 0.77 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1OPRM1METAP1
SCHEMBL599955 0.76 TSHR (0.40) TSHROPRM1METAP1
SCHEMBL21730418 0.74 TSHR (0.31) TSHR
SCHEMBL11223706 0.74 TSHR (0.31) TSHR

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 1032/4885TSHR 4097/4885MAPK1 4237/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 ALDH1A1 1032/4885TSHR 4097/4885MAPK1 4237/4885

“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.