SCHEMBL4742422

SCHEMBL4742422

NC1CCCCC1NC(=O)c1ccc(N2CCCOC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.61
KDM1A O60341 5/20 0.51
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
RCOR1 Q9UKL0 4/20 0.51
NPC1 O15118 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC4 P56524 1/20 0.45
F2 P00734 1/20 0.43
SMYD3 Q9H7B4 1/20 0.41
KDM1B Q8NB78 2/20 0.39

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
SCHEMBL5432614 0.98 F10 (0.59) F10KDM1AMAOAMAOBRCOR1
SCHEMBL4742421 0.87 F10 (0.59) F10KDM1AMAOAMAOBRCOR1
SCHEMBL5432613 0.84 F10 (0.57) F10KDM1AMAOAMAOBRCOR1
SCHEMBL1997842 0.84 F10 (0.61) F10NPC1HPGDSMN1; SMN2TSHR
SCHEMBL5432482 0.82 RAB9A (0.70) F10NPC1HPGDSMN1; SMN2TSHR
SCHEMBL4747313 0.81 RAB9A (0.65) F10NPC1HPGDSMN1; SMN2TSHR
SCHEMBL5435373 0.81 F10 (0.45) F10KDM1AMAOAMAOBRCOR1
SCHEMBL4691946 0.81 F10 (0.60) F10NPC1HPGDSMN1; SMN2TSHR
SCHEMBL4744626 0.81 RAB9A (0.67) F10NPC1HPGDSMN1; SMN2TSHR
SCHEMBL4742624 0.81 F10 (0.62) F10NPC1HPGDSMN1; SMN2TSHR

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 8 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 claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
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
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US 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 (2 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 53/4885KDM1A 2307/4885MAOA 753/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 F10 36/4885KDM1A 1977/4885MAOA 664/4885

“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.