SCHEMBL2997818

SCHEMBL2997818

[CH2]C1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.60
EPHX1 P07099 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
SLC18A3 Q16572 1/20 0.51
MEN1 O00255 2/20 0.50
MGLL Q99685 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HSD11B1 P28845 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50

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
SCHEMBL28236552 0.90 HPGD (0.59) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL8988831 0.89 ACHE (0.69) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL5871923 0.81 ACHE (0.62) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL2720515 0.81 ACHE (0.62) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL12442621 0.81 ACHE (0.62) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4392851 0.81 ACHE (0.62) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL22657779 0.80 GAA (0.62) HPGDRAB9AKMT2AMEN1MGLL
SCHEMBL2130912 0.79 ACHE (0.60) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL8919161 0.79 SLC18A3 (0.62) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL18166097 0.79 ACHE (0.81) ACHEEPHX1L3MBTL3L3MBTL1HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP claimed
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN claimed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US claimed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US claimed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP claimed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO claimed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ACHE 4024/4885EPHX1 2854/4885L3MBTL3 3001/4885

“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.