SCHEMBL5435546

SCHEMBL5435546

COC1CCC(NC(=O)c2ccc(N3CCOCC3=O)cc2)C(C(N)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.51
LCK P06239 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
PTGS2 P35354 1/20 0.38
NPC1 O15118 3/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 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
SCHEMBL5432366 0.94 F10 (0.51) F10LCKJAK3BTKNPC1
SCHEMBL5435551 0.89 F10 (0.54) F10LCKJAK3BTKNPC1
SCHEMBL5432370 0.88 F10 (0.53) F10LCKJAK3BTKNPC1
SCHEMBL4689504 0.85 NPC1 (0.51) F10LCKJAK3NPC1TSHR
SCHEMBL4691942 0.83 F10 (0.58) F10LCKJAK3BTKPTGS2
SCHEMBL4690484 0.83 F10 (0.61) F10LCKJAK3BTKNPC1
SCHEMBL5428982 0.78 NPC1 (0.52) F10LCKJAK3NPC1TSHR
SCHEMBL5430385 0.77 F10 (0.59) F10
SCHEMBL2000751 0.77 F10 (0.60) F10LCKJAK3BTKPTGS2
SCHEMBL4690487 0.75 F10 (0.63) F10LCKJAK3BTKNPC1

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD F10 53/4885LCK 4157/4885JAK3 3059/4885

“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.