SCHEMBL5772686

SCHEMBL5772686

NC(=O)[C@@H]1COCCN1CCNC(=O)[CH]Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
SPR P35270 4/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
BLM P54132 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
IDO1 P14902 1/20 0.40
NOTUM Q6P988 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 3/20 0.38
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
PMP22 Q01453 2/20 0.37

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
SCHEMBL5115670 0.87 SPR (0.46) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL5123146 0.73 SPR (0.46) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL5108708 0.71 SPR (0.50) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL3581844 0.70 MAOB (0.43) MAOBALDH1A1NPSR1KDM4ECYP3A4
SCHEMBL5123450 0.70 SPR (0.48) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL5772690 0.68 BLM (0.56) SPRALDH1A1NPSR1KDM4EHPGD
SCHEMBL12720788 0.66 SPR (0.62) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL5121601 0.65 NPSR1 (0.46) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL6077127 0.65 SPR (0.60) MAOBSPRALDH1A1NPSR1KDM4E
SCHEMBL13645692 0.63 SPR (0.76) MAOBSPRALDH1A1NPSR1KDM4E

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
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 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-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 MAOB 2617/4885SPR 2264/4885ALDH1A1 2335/4885

“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.