SCHEMBL14490682

SCHEMBL14490682

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1N=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
PDE4B Q07343 3/20 0.38
TLR2 O60603 2/20 0.38
TLR1 Q15399 2/20 0.38
MDM2 Q00987 1/20 0.37
BACE1 P56817 1/20 0.37
KMT2A Q03164 2/20 0.36
CASP1 P29466 1/20 0.36
USP30 Q70CQ3 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL5435277 0.84 F10 (0.43) F10PDE4BTLR2TLR1MDM2
SCHEMBL5435274 0.84 F10 (0.43) F10PDE4BTLR2TLR1MDM2
SCHEMBL5443667 0.83 PDE4B (0.43) F10PDE4BTLR2TLR1MDM2
SCHEMBL14428332 0.80 KMT2A (0.44) F10TLR2TLR1MDM2BACE1
SCHEMBL14490681 0.79 KMT2A (0.39) F10KMT2AEPHX2
SCHEMBL20479997 0.79 PDE4B (0.45) PDE4BKMT2AUSP30
SCHEMBL20479996 0.79 PDE4B (0.45) PDE4BKMT2AUSP30
SCHEMBL20479950 0.79 PDE4B (0.45) PDE4BKMT2AUSP30
SCHEMBL20479951 0.79 PDE4B (0.45) PDE4BKMT2AUSP30
SCHEMBL20479995 0.79 PDE4B (0.45) PDE4BKMT2AUSP30

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 53/4885PDE4B 796/4885TLR2 2864/4885

“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.