SCHEMBL5436396

SCHEMBL5436396

CN1CC(N)C(NCc2ccc(-n3ccccc3=O)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.42
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
P2RX3 P56373 1/20 0.32
MCHR1 Q99705 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5439343 0.85 F10 (0.46) F10ITGB1ITGA4F2F11
SCHEMBL5442390 0.83 F10 (0.33) F10ALDH1A1SMN1; SMN2
SCHEMBL5439342 0.79 F10 (0.47) F10ITGB1ITGA4F2F11
SCHEMBL5431963 0.78 F10 (0.53) F10F2F11
SCHEMBL5432928 0.76 F10 (0.55) F10F2
SCHEMBL4748116 0.76 F10 (0.58) F10F2
SCHEMBL5432444 0.75 USP2 (0.46) ALDH1A1POLBSMN1; SMN2
SCHEMBL5435562 0.73 F10 (0.47) F10CYP3A4CYP2C9F2
SCHEMBL5436392 0.70 F10 (0.41) F10ITGB1ITGA4ALDH1A1CYP3A4
SCHEMBL5437836 0.68 F10 (0.35) F10ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
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 53/4885ITGB1 3384/4885ITGA4 2449/4885

“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.