SCHEMBL4745376

SCHEMBL4745376

CC(=O)N1CCC(NC(=O)c2ccc(N3CCCCC3=O)cc2)[CH]C1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
F10 P00742 4/20 0.48
F2 P00734 1/20 0.48
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
RECQL P46063 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PRMT5 O14744 1/20 0.42

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
SCHEMBL4693183 0.91 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4691171 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4690817 0.85 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5443489 0.83 HPGD (0.54) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5630330 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4687370 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4742036 0.79 F10 (0.50) F10F2
SCHEMBL5436442 0.78 HPGD (0.53) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5434250 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5432185 0.77 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDTSHR

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 NPC1 4319/4885RAB9A 3566/4885SMN1; SMN2 2952/4885

“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.