SCHEMBL2426809

SCHEMBL2426809

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2c1ccc(C(=O)O)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.51
HSP90AA1 P07900 14/20 0.49
HSP90AB1 P08238 14/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
JAK1 P23458 3/20 0.44
JAK2 O60674 1/20 0.43

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
SCHEMBL2426807 1.00 RET (0.51) RETHSP90AA1HSP90AB1KMT2AL3MBTL1
SCHEMBL2426041 0.90 HSP90AA1 (0.60) RETHSP90AA1HSP90AB1
SCHEMBL2426043 0.90 HSP90AA1 (0.60) RETHSP90AA1HSP90AB1
SCHEMBL1116607 0.90 HSP90AA1 (0.51) RETHSP90AA1HSP90AB1KMT2AL3MBTL1
SCHEMBL1116609 0.90 HSP90AA1 (0.51) RETHSP90AA1HSP90AB1KMT2AL3MBTL1
SCHEMBL2098551 0.89 HSP90AA1 (0.54) RETHSP90AA1HSP90AB1JAK1
SCHEMBL2098552 0.89 HSP90AA1 (0.54) RETHSP90AA1HSP90AB1JAK1
Hydrochloric Acid SCHEMBL2427950 0.89 HSP90AA1 (0.59) RETHSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL2427947 0.89 HSP90AA1 (0.59) RETHSP90AA1HSP90AB1
SCHEMBL3980998 0.88 RET (0.49) RETHSP90AA1HSP90AB1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US 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
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 RET 1262/4885HSP90AA1 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.