SCHEMBL8340922

SCHEMBL8340922

CC1CCC(N2CCCNC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
CDA P32320 2/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
F10 P00742 2/20 0.35
F2 P00734 1/20 0.34
F9 P00740 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL5827421 0.90 CDA (0.44) CDANPY5RF10F2F9
SCHEMBL13450563 0.89 HSD11B1 (0.39) ADORA2ANPY5RLMNATP53NPSR1
SCHEMBL12385845 0.89 HSD11B1 (0.39) ADORA2ANPY5RLMNATP53NPSR1
SCHEMBL19271812 0.84 CDA (0.42) CDANPY5RF10F2F9
SCHEMBL17138754 0.84 CDA (0.42) CDANPY5RF10F2F9
SCHEMBL11215508 0.82 CDA (0.44) CDANPY5RPKMF10F2
SCHEMBL8341376 0.81 CHRM2 (0.41) CDANPY5RNPSR1F10F2
SCHEMBL1973236 0.81 HTR2C (0.45) CDANPY5RTP53PKMF10
SCHEMBL6160028 0.79 CDA (0.40) CDANPY5RF10F2F9
SCHEMBL14244119 0.78

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 3 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 disclosed
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
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 ADORA2A 2370/4885CDA 1496/4885NPY5R 3732/4885

“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.