SCHEMBL2431633

SCHEMBL2431633

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)N[C@H]3CCN(C)C3)cn2)c1C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.76
HSP90AB1 P08238 19/20 0.76

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
SCHEMBL2427118 1.00 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL2431631 1.00 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL2427120 1.00 HSP90AA1 (0.76) HSP90AA1HSP90AB1
SCHEMBL2427583 0.95 HSP90AA1 (0.78) HSP90AA1HSP90AB1
SCHEMBL2427579 0.95 HSP90AA1 (0.78) HSP90AA1HSP90AB1
SCHEMBL2426003 0.91 HSP90AA1 (0.85) HSP90AA1HSP90AB1
SCHEMBL2426001 0.91 HSP90AA1 (0.85) HSP90AA1HSP90AB1
SCHEMBL2422957 0.89 HSP90AA1 (0.82) HSP90AA1HSP90AB1
SCHEMBL2422952 0.89 HSP90AA1 (0.82) HSP90AA1HSP90AB1
SCHEMBL2428906 0.89 HSP90AA1 (0.82) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP claimed
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
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 HSP90AA1 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.