SCHEMBL19294696

SCHEMBL19294696

C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.52
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 5/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
MCL1 Q07820 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 2/20 0.43
NR4A1 P22736 1/20 0.43

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
SCHEMBL19282490 1.00 SMYD3 (0.52) SMYD3HDAC6KMT2ARAB9AMAPT
SCHEMBL19282382 1.00 SMYD3 (0.52) SMYD3HDAC6KMT2ARAB9AMAPT
SCHEMBL19282379 1.00 SMYD3 (0.52) SMYD3HDAC6KMT2ARAB9AMAPT
SCHEMBL19294706 0.86 MEN1 (0.50) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19282373 0.86 MEN1 (0.50) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19282511 0.86 MEN1 (0.50) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19294704 0.86 MEN1 (0.50) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19282376 0.86 MEN1 (0.50) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19282464 0.81 SMYD3 (0.49) SMYD3HDAC6KMT2ARAB9AMAPT
SCHEMBL19282434 0.81 SMYD3 (0.49) SMYD3HDAC6KMT2ARAB9AMAPT

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 113/4885KMT2A 616/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 SMYD3 1/4885HDAC6 113/4885KMT2A 616/4885

“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.