SCHEMBL4794745

SCHEMBL4794745

C[C@H](c1ccccc1)N1C[C@]2(C=O)CCC[C@@H]2C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 3/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4795085 0.82 HSD11B1 (0.43) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL4748008 0.80 ALDH1A1 (0.44) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL4792103 0.79 HSD11B1 (0.40) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL4792105 0.79 HSD11B1 (0.40) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL10289391 0.79 KMT2A (0.42) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL4748037 0.78 KMT2A (0.43) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL14405521 0.75 KMT2A (0.37) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL4748051 0.71 KMT2A (0.40) HSD11B1KMT2AALDH1A1HPGDMAPK1
SCHEMBL4748059 0.69 KMT2A (0.38) HSD11B1KMT2AGAA
SCHEMBL4803238 0.68 KMT2A (0.43) HSD11B1KMT2AALDH1A1HPGDMAPK1

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-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 (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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 HSD11B1 3535/4885KMT2A 2847/4885ALDH1A1 2730/4885

“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.