SCHEMBL791794

SCHEMBL791794

C[C@H]1CC[C@H](N2C(=O)CNC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.32
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
CYP11B2 P19099 1/20 0.30
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11410317 0.89 OPRM1 (0.38) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6230172 0.79 OPRM1 (0.49) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL22722025 0.78 DUSP3 (0.35) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL12436838 0.78 DUSP3 (0.35) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL3064713 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL1970539 0.76 MEN1 (0.50) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL8115295 0.72 ALDH1A1 (0.34) OPRM1OPRK1ALDH1A1MEN1MAPT
SCHEMBL26107781 0.71 GAA (0.38) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL17961771 0.71 HTR3E (0.34) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL17961770 0.71 HTR3E (0.34) OPRM1OPRD1OPRK1OGFRL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 OPRM1 3434/4885OPRD1 3789/4885OPRK1 3897/4885

“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.