SCHEMBL4941581

SCHEMBL4941581

CN1CCc2ccccc2[C@H](N)C1=O.Cc1ccc(C(=O)C(O)(C(=O)O)C(O)(C(=O)O)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRK1 P41145 5/20 0.44
XIAP P98170 1/20 0.44
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SCN2A Q99250 1/20 0.36
CYP2J2 P51589 1/20 0.36
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34
OPRD1 P41143 1/20 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
SCHEMBL4941606 0.82 XIAP (0.39) OPRM1OPRK1XIAPNPC1HPGD
SCHEMBL4941582 0.81 XIAP (0.44) OPRM1OPRK1XIAPNPC1HPGD
SCHEMBL4122465 0.80 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4122057 0.80 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4126331 0.80 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4114257 0.79 XIAP (0.53) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4423615 0.73 XIAP (0.52) OPRM1OPRK1XIAPKMT2ASMN1; SMN2
SCHEMBL4941575 0.72 XIAP (0.54) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL5718255 0.68 CA2 (0.59) NPC1HPGDRAB9AKMT2ASMN1; SMN2
SCHEMBL2986282 0.68 CA2 (0.59) NPC1HPGDRAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
EP-1345955-B1 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE LILLY CO ELI (US) 2008-08-20 EP disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
EP-1353910-B1 LACTAM COMPOUND LILLY CO ELI (US) 2007-05-23 EP disclosed
EP-1341531-B1 LACTAM COMPOUND TO INHIBIT BETA-AMYLOID PEPTIDE RELEASE OR SYNTHESIS LILLY CO ELI (US) 2007-01-17 EP 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-20070299053-A1 Lactam compound AAAS, ORMDL3, NAALAD2 OPRM1 2251/4885OPRK1 2217/4885XIAP 3446/4885

“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.