SCHEMBL4690413

SCHEMBL4690413

NC(=O)C1CCCC1NC(=O)c1ccc(N2CCCCC2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.46
F2 P00734 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5427096 0.99 F10 (0.45) F10F2RAB9ANPC1SMN1; SMN2
SCHEMBL4691494 0.97 RAB9A (0.48) F10F2RAB9ANPC1SMN1; SMN2
SCHEMBL5435419 0.88 F10 (0.47) F10F2RAB9ANPC1SMN1; SMN2
SCHEMBL5427099 0.87 F10 (0.46) F10F2RAB9ANPC1SMN1; SMN2
SCHEMBL5432622 0.85 F10 (0.41) F10RAB9ACRBN
SCHEMBL5442375 0.85 F10 (0.47) F10
SCHEMBL5429734 0.85 F10 (0.41) F10RAB9ANPC1CRBNMAPT
SCHEMBL5436047 0.85 F10 (0.44) F10RAB9ACRBN
SCHEMBL5427145 0.85 F10 (0.39) F10F2RAB9ANPC1SMN1; SMN2
SCHEMBL5432857 0.85 RAB9A (0.49) F10F2RAB9ANPC1SMN1; 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 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.