SCHEMBL6488095

SCHEMBL6488095

Cc1ccc(CCN(N)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.50
TAAR1 Q96RJ0 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
CNR2 P34972 2/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 2/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL989858 0.93 AOC3 (0.55) AOC3TAAR1CYP1A2CYP2A6CNR2
SCHEMBL13696394 0.86 AOC3 (0.59) AOC3TAAR1CYP2A6KCNH2CHRM2
SCHEMBL991930 0.82 AOC3 (0.58) AOC3TAAR1CYP1A2CYP2A6CNR2
SCHEMBL11291941 0.79 TAAR1 (0.50) AOC3TAAR1CYP1A2CYP2A6CNR2
SCHEMBL6488567 0.76 AOC3 (0.64) AOC3KCNH2CHRM2HTR1AADRA2A
SCHEMBL7524416 0.75 CYP2C19 (0.68) AOC3TAAR1CNR2CYP2C19TDP1
SCHEMBL14981801 0.75 CNR2 (0.45) AOC3TAAR1CYP1A2CYP2A6CNR2
SCHEMBL121248 0.75 TSHR (0.39) TAAR1CYP1A2CYP2A6CYP2C19KCNH2
SCHEMBL9717180 0.75 AOC3 (0.43) AOC3CYP1A2CYP2C19TDP1L3MBTL1
SCHEMBL21390390 0.75 CYP2C19 (0.52) TAAR1CYP1A2CYP2A6CNR2CYP2C19

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 1365/4885TAAR1 2984/4885CYP1A2 1673/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP AOC3 1365/4885TAAR1 2984/4885CYP1A2 1673/4885

“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.