SCHEMBL19294705

SCHEMBL19294705

CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(N3CCCC3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
DRD4 P21917 2/20 0.47
MAPT P10636 7/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
USP2 O75604 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
MCL1 Q07820 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A1 P22736 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.41

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
SCHEMBL19282428 1.00 SMYD3 (0.49) SMYD3HDAC6DRD4MAPTKMT2A
SCHEMBL19294703 1.00 SMYD3 (0.49) SMYD3HDAC6DRD4MAPTKMT2A
SCHEMBL19282434 1.00 SMYD3 (0.49) SMYD3HDAC6DRD4MAPTKMT2A
SCHEMBL19282464 1.00 SMYD3 (0.49) SMYD3HDAC6DRD4MAPTKMT2A
SCHEMBL19294696 0.81 SMYD3 (0.52) SMYD3HDAC6MAPTKMT2AALDH1A1
SCHEMBL19282379 0.81 SMYD3 (0.52) SMYD3HDAC6MAPTKMT2AALDH1A1
SCHEMBL19282490 0.81 SMYD3 (0.52) SMYD3HDAC6MAPTKMT2AALDH1A1
SCHEMBL19282382 0.81 SMYD3 (0.52) SMYD3HDAC6MAPTKMT2AALDH1A1
SCHEMBL21703565 0.79 HRH3 (0.64) SMYD3HDAC6MAPTKMT2AALDH1A1
SCHEMBL23384263 0.72 SMYD3 (0.57) SMYD3KMT2AALDH1A1SMN1; SMN2RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 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-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 SMYD3 1/4885HDAC6 113/4885DRD4 1647/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 SMYD3 1/4885HDAC6 113/4885DRD4 1647/4885

“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.