SCHEMBL5569005

SCHEMBL5569005

CN(C)Cc1nccn1-c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
F10 P00742 8/20 0.52
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
F2 P00734 1/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ADH5 P11766 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
APEX1 P27695 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
SCHEMBL5568330 0.85 F10 (0.52) NR4A1NR4A2F10PDE4APDE4B
SCHEMBL29079482 0.84 NR4A1 (0.60) NR4A1NR4A2PDE4APDE4BPDE4C
SCHEMBL16361760 0.82 CYP3A4 (0.43) F10POLBMEN1KMT2AALDH1A1
SCHEMBL8268238 0.80 F10 (0.43) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL5395497 0.79 F10 (0.43) F10F2KDM4EMAPT
SCHEMBL7342223 0.78 PDE4A (0.61) NR4A1NR4A2PDE4APDE4BPDE4C
SCHEMBL5375483 0.76 NR1I2 (0.44) F10POLBMEN1KMT2AALDH1A1
SCHEMBL1098395 0.76 F10 (0.40) F10PDE4APDE4BPDE4CPDE4D
SCHEMBL8656468 0.75 NR4A1 (0.60) NR4A1NR4A2PDE4APDE4BPDE4C
SCHEMBL326869 0.75 NR4A1 (0.65) NR4A1NR4A2PDE4APDE4BPDE4C

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-1670739-A4 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
US-7115646-B2 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-10-03 US disclosed
EP-1670739-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-21 EP disclosed
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-04-21 US disclosed
WO-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors TFPI, SERPINC1, F12 NR4A1 4091/4885NR4A2 4213/4885F10 7/4885

“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.