SCHEMBL5772690

SCHEMBL5772690

N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)NCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HTR1A P08908 2/20 0.56
NFKB1 P19838 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
HTR7 P34969 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
SLC6A4 P31645 1/20 0.56
MTOR P42345 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL5115676 0.92 BLM (0.58) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL20168582 0.82 HDAC8 (0.77) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL5121693 0.82 NPSR1 (0.67) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL29804259 0.82 HDAC8 (0.77) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL20168578 0.82 HDAC8 (0.77) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL10407441 0.79 NPSR1 (0.69) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL10407439 0.79 NPSR1 (0.69) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL5123150 0.79 HDAC8 (0.52) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL5108712 0.79 NPSR1 (0.62) BLMNPSR1KDM4EALDH1A1HTR1A
SCHEMBL15962425 0.79 SOS1 (0.59) BLMKDM4EMAPTLMNATSHR

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 BLM 3226/4885NPSR1 959/4885KDM4E 3436/4885

“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.