SCHEMBL4795085

SCHEMBL4795085

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL4748008 0.84 ALDH1A1 (0.44) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4748037 0.82 KMT2A (0.43) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4794745 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4803238 0.77 KMT2A (0.43) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4802761 0.76 HSD11B1 (0.42) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4748051 0.75 KMT2A (0.40) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4792100 0.75 HSD11B1 (0.43) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL13769492 0.74 KMT2A (0.44) HSD11B1ALDH1A1HPGDKMT2ACYP2D6
SCHEMBL4748059 0.73 KMT2A (0.38) HSD11B1KMT2AGAA
SCHEMBL14139690 0.71 KMT2A (0.43) HSD11B1ALDH1A1HPGDKMT2ACYP2D6

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 3535/4885ALDH1A1 2730/4885HPGD 983/4885

“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.