SCHEMBL4748628

SCHEMBL4748628

CCC1C(=O)N([C@@H](C)c2ccccc2)C[C@H]1C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.40
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 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
SCHEMBL2670160 0.85 ALDH1A1 (0.36) SMYD2CYP3A4HTTSMN1; SMN2KMT2A
SCHEMBL2670129 0.81 KMT2A (0.44) SMYD2CYP3A4HTTSMN1; SMN2KMT2A
SCHEMBL4748631 0.78 KMT2A (0.41) CYP3A4KMT2AHSD11B1
SCHEMBL4748644 0.78 KMT2A (0.39) KMT2AHSD11B1
SCHEMBL4792235 0.71 KMT2A (0.31) KMT2A
SCHEMBL10289647 0.69 KMT2A (0.35) KMT2AHSD11B1
SCHEMBL10289932 0.69 KMT2A (0.37) CYP3A4KMT2AHSD11B1
SCHEMBL13652965 0.68 KMT2A (0.46) KMT2AHSD11B1
SCHEMBL17184756 0.67 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12167674 0.66 KMT2A (0.43) KMT2AHSD11B1

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-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 SMYD2 2578/4885CYP3A4 153/4885HTT 4836/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 SMYD2 2578/4885CYP3A4 153/4885HTT 4836/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 SMYD2 2578/4885CYP3A4 153/4885HTT 4836/4885

“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.