SCHEMBL580095

SCHEMBL580095

CC(=O)Nc1ccc(Oc2ccc(CCNCc3cccnc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.60
ALDH1A1 P00352 2/20 0.57
HTT P42858 2/20 0.57
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL579606 0.86 OPRM1 (0.65) ALDH1A1KDM4EKMT2AL3MBTL1OPRM1
SCHEMBL6732455 0.82 LTA4H (0.62) NAMPTALDH1A1HTTMAPTPOLB
SCHEMBL579645 0.82 MEN1 (0.56) ALDH1A1HTTKDM4ELMNAKMT2A
SCHEMBL579900 0.82 RAB9A (0.63) NAMPTALDH1A1HTTMAPTKDM4E
SCHEMBL579570 0.80 CYP1A2 (0.53) HTTMAPTKMT2AADRB1ADRB3
SCHEMBL580036 0.80 LTA4H (0.51) ALDH1A1POLBKDM4EKMT2AADRB1
SCHEMBL580125 0.78 LTA4H (0.51) ALDH1A1HTTPOLBKDM4EKMT2A
SCHEMBL579763 0.78 OPRM1 (0.54) ALDH1A1LMNAKMT2AL3MBTL1ADRB1
SCHEMBL579590 0.77 SCN8A (0.51) ALDH1A1HTTMAPTPOLBKDM4E
SCHEMBL579992 0.77 ADRB1 (0.54) ALDH1A1HTTMAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US claimed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US claimed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 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-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 NAMPT 3367/4885ALDH1A1 2047/4885HTT 3444/4885

“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.