SCHEMBL2429673

SCHEMBL2429673

CCC(CC)Nc1cc(C(=O)O)ccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.56
HSP90AA1 P07900 4/20 0.49
HSP90AB1 P08238 4/20 0.49
HCAR2 Q8TDS4 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
PLEC Q15149 1/20 0.43
CASR P41180 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NEU3 Q9UQ49 1/20 0.40
SELL P14151 2/20 0.39
SELP P16109 2/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL2427227 0.90 HCAR3 (0.49) HCAR3HSP90AA1HSP90AB1HCAR2ALDH1A1
SCHEMBL2429720 0.89 HCAR3 (0.44) HCAR3HSP90AA1HSP90AB1HCAR2ALDH1A1
SCHEMBL2426360 0.88 HCAR3 (0.56) HCAR3HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL2427539 0.88 HCAR3 (0.56) HCAR3HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL2427290 0.88 HCAR3 (0.56) HCAR3HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL2431092 0.83 HCAR3 (0.52) HCAR3ALDH1A1MAPTKDM4EGAA
SCHEMBL3150541 0.81 HCAR3 (0.47) HCAR3HSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL2429514 0.81 HCAR3 (0.55) HCAR3ALDH1A1MAPTKDM4EGAA
SCHEMBL2422623 0.81 HCAR3 (0.55) HCAR3ALDH1A1MAPTKDM4EGAA
SCHEMBL2428418 0.81 HCAR3 (0.55) HCAR3ALDH1A1MAPTKDM4EGAA

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 HCAR3 1036/4885HSP90AA1 1888/4885HSP90AB1 1352/4885

“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.