SCHEMBL6489577

SCHEMBL6489577

NN(CCCCCO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ADRA2C P18825 1/20 0.35
KCNA3 P22001 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33

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
SCHEMBL9717165 0.87 AOC3 (0.45) OPRM1AOC3SIGMAR1KDM4EADRA2C
SCHEMBL4468683 0.83 KDM4E (0.43) OPRM1OPRL1MEN1KMT2AAOC3
SCHEMBL6477185 0.80 NPC1 (0.50) OPRM1AOC3SIGMAR1NPC1JAK2
SCHEMBL6484775 0.80 NPC1 (0.50) OPRM1AOC3SIGMAR1NPC1JAK2
SCHEMBL6487469 0.80 NPC1 (0.50) OPRM1AOC3SIGMAR1NPC1JAK2
SCHEMBL6488829 0.80 NPC1 (0.50) OPRM1AOC3SIGMAR1NPC1JAK2
SCHEMBL6477702 0.80 NPC1 (0.50) OPRM1AOC3SIGMAR1NPC1JAK2
SCHEMBL5378450 0.79 OPRM1 (0.41) OPRM1OPRL1MEN1KMT2ASIGMAR1
SCHEMBL6804765 0.79 OPRM1 (0.41) OPRM1OPRL1MEN1KMT2ASIGMAR1
SCHEMBL10653179 0.79 KCNA3 (0.46) OPRM1OPRL1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO 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 (2 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-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP OPRM1 2982/4885OPRL1 3050/4885MEN1 846/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP OPRM1 2982/4885OPRL1 3050/4885MEN1 846/4885

“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.