SCHEMBL2425279

SCHEMBL2425279

NC(=O)c1ccc(C(=O)O)cc1N1CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
GAA P10253 6/20 0.56
HSD17B10 Q99714 6/20 0.56
POLB P06746 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDC7 O00311 2/20 0.54
CDK9 P50750 1/20 0.54
NPC1 O15118 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
GFER P55789 1/20 0.50
YWHAG P61981 1/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.48
TTR P02766 2/20 0.47
ROCK2 O75116 1/20 0.46

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
SCHEMBL13885239 0.80 NEU3 (0.49) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL28353486 0.77 ALDH1A1 (0.48) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL29133113 0.77 HPGD (0.56) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL30622157 0.77 HPGD (0.56) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL23292230 0.75 GAA (0.77) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL29736502 0.75 CDC7 (0.58) KDM4EHSD17B10POLBL3MBTL1CDC7
SCHEMBL4959047 0.75 CDC7 (0.58) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL3538450 0.75 NPC1 (0.63) KDM4EGAAHSD17B10L3MBTL1TDP1
SCHEMBL29858425 0.75 KIF18A (0.53) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL3085532 0.74 NPC1 (0.61) KDM4EGAAHSD17B10L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 KDM4E 4402/4885GAA 1904/4885HSD17B10 1069/4885

“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.