SCHEMBL5435758

SCHEMBL5435758

CN1C(=O)C(NC(=O)c2ccc(N3CCOCC3=O)cc2)[CH]C1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.47
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LCK P06239 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL5435560 0.84 F10 (0.43) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5436442 0.83 HPGD (0.53) F10CYP1A2CYP2D6CYP2C9F2
SCHEMBL5443397 0.79 F10 (0.49) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5435766 0.77 F10 (0.48) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5443405 0.76 F10 (0.51) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4691942 0.75 F10 (0.58) F10LCKJAK3BTKF2
SCHEMBL4690484 0.75 F10 (0.61) F10LCKJAK3BTKF2
SCHEMBL2639481 0.73 F10 (0.52) F10
SCHEMBL5431960 0.73 F10 (0.49) F10F2
SCHEMBL5432366 0.73 F10 (0.51) F10LCKJAK3BTK

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 53/4885CYP1A2 2478/4885CYP3A4 1311/4885

“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.