SCHEMBL5639696

SCHEMBL5639696

NC(=O)C1[C@H]2[CH]CCN2C(=O)N1c1ccc(-n2ccnc2CN2CCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
OPRK1 P41145 2/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5640309 0.85 ADRA2C (0.31) F10
SCHEMBL5638735 0.85 F10 (0.40) F10F2
SCHEMBL5643731 0.83 F10 (0.37) F10
SCHEMBL5642012 0.81 F10 (0.41) F10F2
SCHEMBL5639073 0.81 F10 (0.39) F10
SCHEMBL4593202 0.75 F10 (0.35) F10F2
SCHEMBL5640812 0.75 F10 (0.39) F10F2
SCHEMBL5639592 0.74 F10 (0.34) F10
SCHEMBL5639350 0.74 F10 (0.36) F10F2
SCHEMBL5642089 0.73 HPGD (0.43) ALDH1A1

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-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 MEN1 671/4885KMT2A 3394/4885ALDH1A1 2842/4885

“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.