SCHEMBL2998445

SCHEMBL2998445

C[CH]C1CCN(C(C)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 7/20 0.44
EPHX1 P07099 3/20 0.44
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
QDPR P09417 1/20 0.40
PIK3CD O00329 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL8424180 0.87 EPHX2 (0.38) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL24434580 0.83 EPHX2 (0.42) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL14317303 0.83 EPHX2 (0.42) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL57712 0.82 CYP1A2 (0.44) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL21846307 0.80 EPHX2 (0.43) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL2666145 0.77 EPHX2 (0.53) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL18914680 0.77 EPHX2 (0.44) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL27827223 0.77 EPHX2 (0.41) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL329321 0.75 CYP1A2 (0.52) CYP1A2TDP1EPHX2EPHX1KDM4E
SCHEMBL16095216 0.75 MEN1 (0.39) EPHX2

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 8 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
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-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP 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 CYP1A2 4420/4885TDP1 567/4885EPHX2 2760/4885

“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.