SCHEMBL579600

SCHEMBL579600

CC(=O)Nc1ccc(Oc2ccc(CCNC3CCCCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
EPHX1 P07099 3/20 0.49
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DHODH Q02127 1/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
EPHX2 P34913 2/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
NPC1 O15118 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
SCHEMBL579608 0.85 EPHX2 (0.47) HTTALDH1A1MMP2MMP9EPHX2
SCHEMBL579582 0.84 EPHX2 (0.49) HTTKMT2AALDH1A1MAPTALOX12
SCHEMBL7868846 0.81 ALDH1A1 (0.63) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL5561766 0.76 KDM4E (0.65) HTTKMT2AALDH1A1TAAR1SMN1; SMN2
SCHEMBL579992 0.76 ADRB1 (0.54) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL579645 0.76 MEN1 (0.56) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL579681 0.74 KMT2A (0.53) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL787034 0.74 KDM4E (0.67) KMT2AALDH1A1TAAR1EPHX2KDM4E
SCHEMBL580367 0.73 ADRB1 (0.61) HTTMEN1KMT2ALMNATDP1
SCHEMBL6516221 0.73 KMT2A (0.73) HTTMEN1KMT2AALDH1A1LMNA

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 HTT 3444/4885MEN1 4770/4885KMT2A 3472/4885

“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.