SCHEMBL4793751

SCHEMBL4793751

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.38
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MC4R P32245 1/20 0.34
MAPK1 P28482 4/20 0.34

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
SCHEMBL4793309 0.81 HSD11B1 (0.38) HSD11B1KMT2ACYP2D6OPRM1OPRD1
SCHEMBL14671520 0.81 KMT2A (0.41) HSD11B1KMT2ACYP2D6OPRM1OPRD1
SCHEMBL4749063 0.77 MAPT (0.40) HSD11B1KMT2ACYP2D6OPRL1HPGD
SCHEMBL2670110 0.77 MAPT (0.40) HSD11B1KMT2ACYP2D6OPRL1HPGD
SCHEMBL2670114 0.77 MAPT (0.40) HSD11B1KMT2ACYP2D6OPRL1HPGD
SCHEMBL4748532 0.74 HSD11B1 (0.39) HSD11B1KMT2ACYP2D6OPRM1OPRD1
SCHEMBL15099815 0.72 HSD11B1 (0.42) HSD11B1KMT2ACYP2D6OPRM1OPRD1
SCHEMBL739714 0.72 HSD11B1 (0.42) HSD11B1KMT2ACYP2D6OPRM1OPRD1
SCHEMBL2670782 0.72 KMT2A (0.37) KMT2AOPRL1HPGDLMNAMAPK1
SCHEMBL4748562 0.72 CYP2C19 (0.38) HSD11B1KMT2ACYP2D6OPRL1MAPK1

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 2847/4885CYP2D6 44/4885

“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.