SCHEMBL5435562

SCHEMBL5435562

CN1CC(N)C(NCc2ccc(N3CCOCC3=O)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.47
PTGS2 P35354 5/20 0.41
KDM1A O60341 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.38
F2 P00734 1/20 0.38
ST14 Q9Y5Y6 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
SCHEMBL5434177 0.86 F10 (0.47) F10PTGS2KDM1ACYP1A2CYP3A4
SCHEMBL5432444 0.83 USP2 (0.46) KDM1A
SCHEMBL5434172 0.81 F10 (0.46) F10PTGS2KDM1ACYP1A2CYP3A4
SCHEMBL5435766 0.80 F10 (0.48) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5435560 0.74 F10 (0.43) F10PTGS2CYP1A2CYP3A4CYP2D6
SCHEMBL1675835 0.72 F10 (0.50) F10PTGS2CYP1A2CYP3A4CYP2D6
SCHEMBL7906874 0.71 F10 (0.53) F10PTGS2
SCHEMBL3864241 0.71 F10 (0.60) F10PTGS2
SCHEMBL5443405 0.70 F10 (0.51) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5441040 0.69 USP2 (0.45) KDM1A

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 53/4885PTGS2 4045/4885KDM1A 2307/4885

“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.