SCHEMBL4747753

SCHEMBL4747753

CN(C)C(=O)C1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2F)C(C(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.38
F2 P00734 1/20 0.38
RAB9A P51151 4/20 0.37
TYK2 P29597 1/20 0.36
FPR2 P25090 1/20 0.36
USP30 Q70CQ3 1/20 0.35
NPC1 O15118 4/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ACKR3 P25106 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL5427145 0.94 F10 (0.39) F10F2RAB9ATYK2FPR2
SCHEMBL4747759 0.90 F10 (0.41) F10F2RAB9ATYK2FPR2
SCHEMBL5427151 0.89 F10 (0.40) F10F2RAB9ATYK2FPR2
SCHEMBL4690413 0.84 F10 (0.46) F10F2RAB9AFPR2NPC1
SCHEMBL5427096 0.83 F10 (0.45) F10F2RAB9AFPR2USP30
SCHEMBL4694863 0.81 F10 (0.53) F10
SCHEMBL4691494 0.81 RAB9A (0.48) F10F2RAB9ANPC1TSHR
SCHEMBL4692998 0.80 F10 (0.52) F10F2RAB9ANPC1TSHR
SCHEMBL5435419 0.78 F10 (0.47) F10F2RAB9AFPR2NPC1
SCHEMBL5427099 0.78 F10 (0.46) F10F2RAB9AFPR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
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
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO 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 53/4885F2 2/4885RAB9A 3566/4885

“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.