SCHEMBL6478269

SCHEMBL6478269

CSCCCN(N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.40
KCNH3 Q9ULD8 1/20 0.34
ESR1 P03372 1/20 0.33
ESRRG P62508 1/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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 0.81 AOC3 (0.45) AOC3CHRM2HTR1AADRA2ACHRM1
SCHEMBL15468806 0.78 PPARG (0.39) AOC3FAAHPHGDHMGLLALDH1A1
SCHEMBL449304 0.78 ESR1 (0.46) AOC3ESR1CHRM2HTR1AADRA2A
SCHEMBL9717180 0.76 AOC3 (0.43) AOC3ALDH1A1MEN1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4056298 0.76 ESR1 (0.45) AOC3ESR1CHRM2HTR1AADRA2A
SCHEMBL253120 0.76 NPC1 (0.47) AOC3ESR1CHRM2HTR1AADRA2A
SCHEMBL6477185 0.74 NPC1 (0.50) AOC3ESR1OPRM1DRD3KCNH2
SCHEMBL6488829 0.74 NPC1 (0.50) AOC3ESR1OPRM1DRD3KCNH2
SCHEMBL6484775 0.74 NPC1 (0.50) AOC3ESR1OPRM1DRD3KCNH2
SCHEMBL6477702 0.74 NPC1 (0.50) AOC3ESR1OPRM1DRD3KCNH2

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 AOC3 1365/4885KCNH3 2433/4885ESR1 4831/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP AOC3 1365/4885KCNH3 2433/4885ESR1 4831/4885

“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.