SCHEMBL6489498

SCHEMBL6489498

NN(CC1CCCC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
OPRK1 P41145 8/20 0.44
OPRD1 P41143 7/20 0.44
ESR1 P03372 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL6476702 0.98 OPRM1 (0.43) OPRM1OPRK1OPRD1ESR1KDM4E
SCHEMBL6475795 0.98 OPRM1 (0.43) OPRM1OPRK1OPRD1ESR1KDM4E
SCHEMBL6477206 0.92 OPRM1 (0.42) OPRM1OPRK1OPRD1ESR1KDM4E
SCHEMBL29116510 0.78 OPRM1 (0.46) OPRM1OPRK1OPRD1ESR1KDM4E
SCHEMBL3819538 0.77 OPRM1 (0.35) OPRM1OPRK1OPRD1NPC1ALDH1A1
SCHEMBL18658375 0.75 OPRM1 (0.52) OPRM1OPRK1OPRD1KDM4EMEN1
SCHEMBL15998771 0.74 TRPV1 (0.46) OPRM1OPRK1OPRD1KDM4EMEN1
SCHEMBL21253881 0.73 OPRM1 (0.46) OPRM1OPRK1OPRD1ESR1KDM4E
SCHEMBL5180956 0.72 LMNA (0.51) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL4684696 0.72 HTT (0.50) OPRD1KDM4EMEN1NPC1MITF

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 2982/4885OPRK1 4415/4885OPRD1 4047/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP OPRM1 2982/4885OPRK1 4415/4885OPRD1 4047/4885

“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.