SCHEMBL5639628

SCHEMBL5639628

CN(C)C(=O)c1ccc(N2C[C@@]3(C(N)=O)[CH]CCN3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRL1 P41146 4/20 0.39
GAA P10253 1/20 0.37
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CDK8 P49336 1/20 0.34
CSNK1E P49674 1/20 0.34
GSK3A P49840 1/20 0.34
HASPIN Q8TF76 1/20 0.34
RIOK2 Q9BVS4 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
HDAC1 Q13547 1/20 0.32
NPSR1 Q6W5P4 1/20 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
SCHEMBL5641826 0.90 ITGB3 (0.36) OPRM1OPRL1L3MBTL1ITGB3ITGA2B
SCHEMBL5640736 0.83 F10 (0.35) OPRM1OPRL1L3MBTL1ITGB3ITGA2B
SCHEMBL5641331 0.83 OPRM1 (0.44) OPRM1OPRL1
SCHEMBL5642083 0.81 HPGD (0.47) GAAHPGDALDH1A1CYP2D6
SCHEMBL5641008 0.81 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL5643361 0.81 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL5639962 0.80 GSK3B (0.38) MAPTHPGDALDH1A1SMN1; SMN2HDAC1
SCHEMBL5641961 0.80 F10 (0.37) HPGDALDH1A1ITGB3ITGA2B
SCHEMBL5640133 0.79 F10 (0.43) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL5641390 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 OPRM1 3849/4885OPRL1 4069/4885GAA 802/4885

“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.