SCHEMBL5436859

SCHEMBL5436859

CN(CCN1CCOCC1)CC(CC(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.50
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
TACR3 P29371 1/20 0.40
EPHX2 P34913 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL5448586 0.94 F10 (0.52) F10TACR3MAPTALDH1A1
SCHEMBL5442074 0.91 F10 (0.49) F10TACR3MAPTALDH1A1
SCHEMBL5442070 0.91 F10 (0.49) F10TACR3MAPTALDH1A1
SCHEMBL5440261 0.89 F10 (0.44) F10EPHX2MAPTALDH1A1F2
SCHEMBL5442542 0.88 F10 (0.55) F10FPR1FPR2TACR3MAPT
SCHEMBL5428719 0.87 F10 (0.57) F10TACR3MAPTALDH1A1F2
SCHEMBL5446696 0.86 F10 (0.51) F10FPR1FPR2TACR3MAPT
SCHEMBL5445137 0.85 F10 (0.48) F10EPHX2TRPV4
SCHEMBL5438600 0.83 F10 (0.46) F10MAPTALDH1A1F2
SCHEMBL5429210 0.82 F10 (0.51) F10FPR1FPR2EPHX2MAPT

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885FPR1 468/4885FPR2 2133/4885

“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.