SCHEMBL6502339

SCHEMBL6502339

CNCc1ccccc1N1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
PIM1 P11309 1/20 0.52
PIM3 Q86V86 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
DRD2 P14416 5/20 0.50
DRD3 P35462 1/20 0.49
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSK P43235 2/20 0.45
NAMPT P43490 1/20 0.45
F10 P00742 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 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
SCHEMBL2462705 0.87 CKS1B (0.53) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL6503772 0.87 CKS1B (0.48) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL2553609 0.86 CKS1B (0.54) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL6224150 0.84 F10 (0.45) KMT2AF10EPHX2
SCHEMBL24292130 0.82 KCNA3 (0.49) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL6503768 0.82 CKS1B (0.48) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL2464322 0.81 KCNA3 (0.57) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL1271996 0.81 CKS1B (0.55) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL19284706 0.80 CKS1B (0.57) KCNA3CKS1BSKP1SKP2PIM1
SCHEMBL20133857 0.80 DRD2 (0.60) KCNA3CKS1BSKP1SKP2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 US 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 KCNA3 2013/4885CKS1B 2456/4885SKP1 4272/4885

“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.