SCHEMBL21703565

SCHEMBL21703565

CC(C)N1CC[C@H](NC(=O)c2ccc(N3CCCC3)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.64
SMYD3 Q9H7B4 3/20 0.60
SLC6A5 Q9Y345 1/20 0.55
USP30 Q70CQ3 1/20 0.52
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10168782 0.84 HRH3 (0.70) HRH3SLC6A5ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10168794 0.83 HRH3 (0.67) HRH3SLC6A5ALDH1A1KMT2A
SCHEMBL22643851 0.83 HRH3 (0.67) HRH3SLC6A5ALDH1A1KMT2A
SCHEMBL20147538 0.83 HRH3 (0.67) HRH3SLC6A5ALDH1A1KMT2A
SCHEMBL23384263 0.81 SMYD3 (0.57) HRH3SMYD3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10211612 0.81 HRH3 (0.65) HRH3SLC6A5
SCHEMBL19294705 0.79 SMYD3 (0.49) HRH3SMYD3HDAC6MAPTUSP2
SCHEMBL19282428 0.79 SMYD3 (0.49) HRH3SMYD3HDAC6MAPTUSP2
SCHEMBL19282464 0.79 SMYD3 (0.49) HRH3SMYD3HDAC6MAPTUSP2
SCHEMBL19282434 0.79 SMYD3 (0.49) HRH3SMYD3HDAC6MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 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-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 HRH3 2070/4885SMYD3 1/4885SLC6A5 2786/4885

“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.