SCHEMBL2428532

SCHEMBL2428532

CON(C)C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.52
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
MAP4K4 O95819 1/20 0.47
RET P07949 4/20 0.46
ADK P55263 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL31701039 0.90 HRH3 (0.59) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL16651945 0.86 GPR119 (0.54) GPR119CKS1BSKP1SKP2SMN1; SMN2
SCHEMBL2424209 0.85 KMT2A (0.51) CRBNHRH3HPGDSMN1; SMN2NPC1
SCHEMBL31701183 0.84 HRH3 (0.51) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL30313118 0.84 NPC1 (0.62) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL19283866 0.84 NPC1 (0.62) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL19598713 0.83 HRH3 (0.56) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL31284589 0.83 HRH3 (0.56) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL63484 0.83 CKS1B (0.58) GPR119CKS1BSKP1SKP2DDB1
SCHEMBL23120623 0.83 CKS1B (0.50) GPR119CKS1BSKP1SKP2DDB1

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 GPR119 1531/4885CKS1B 1562/4885SKP1 2688/4885

“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.