SCHEMBL5429641

SCHEMBL5429641

NC1CCOCC1NC(=O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
F10 P00742 6/20 0.56
F2 P00734 1/20 0.56
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5432752 0.93 HPGD (0.56) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL5427134 0.90 HPGD (0.57) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4746829 0.86 F10 (0.66) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4747313 0.86 RAB9A (0.65) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4744626 0.85 RAB9A (0.67) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL5435276 0.85 F10 (0.64) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL5432482 0.83 RAB9A (0.70) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL5434208 0.83 NPC1 (0.66) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL5428989 0.80 NPC1 (0.54) HPGDNPC1SMN1; SMN2TSHRRAB9A
SCHEMBL5434254 0.80 HPGD (0.54) HPGDNPC1SMN1; SMN2TSHRRAB9A

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 2 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 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 HPGD 1815/4885NPC1 4319/4885SMN1; 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.