SCHEMBL6445574

SCHEMBL6445574

COC(=O)N[C@H](C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(OC)c(OC)c1)NC(=O)[C@@H](NC(=O)OC)C(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
SLCO2B1 O94956 1/20 0.54
ABCB11 O95342 1/20 0.54
ABCB1 P08183 1/20 0.54
UGT1A1 P22309 1/20 0.54
CCKAR P32238 1/20 0.54
OPRK1 P41145 1/20 0.54
GHSR Q92847 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
CTSD P07339 5/20 0.53
CTSE P14091 1/20 0.53
PGC P20142 1/20 0.53
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45

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
SCHEMBL6445577 1.00 MLNR (0.54) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6443657 0.93 CTSD (0.51) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6443663 0.93 CTSD (0.51) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6444735 0.93 CTSD (0.62) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6444763 0.93 CTSD (0.62) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6443972 0.92 UGT1A1 (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6443968 0.92 UGT1A1 (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6446055 0.91 CTSD (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6446053 0.91 CTSD (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL6445586 0.88 UGT1A1 (0.58) MLNRNR1I2SLCO2B1ABCB11ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MLNR 4496/4885NR1I2 1183/4885SLCO2B1 3746/4885

“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.