SCHEMBL3836237

SCHEMBL3836237

O=C(Nc1ccc(-c2cncnc2)cc1)C1CC(O)CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.56
POLB P06746 1/20 0.53
KLKB1 P03952 4/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.39
DGAT1 O75907 1/20 0.37
CCR1 P32246 1/20 0.37

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
SCHEMBL8272823 1.00 F10 (0.56) F10POLBKLKB1CNR1CNR2
SCHEMBL3590288 0.82 F10 (0.62) F10POLBKLKB1CNR1CNR2
SCHEMBL3588150 0.82 F10 (0.62) F10POLBKLKB1MEN1KMT2A
SCHEMBL3834358 0.82 F10 (0.62) F10POLBKLKB1MEN1KMT2A
SCHEMBL4099625 0.81 F10 (0.58) F10POLBKLKB1CNR1CNR2
SCHEMBL3833847 0.80 F10 (0.60) F10POLBKLKB1MEN1KMT2A
SCHEMBL3831852 0.80 F10 (0.59) F10POLBKLKB1MEN1KMT2A
SCHEMBL3834569 0.80 F10 (0.62) F10POLBKLKB1CNR1CNR2
SCHEMBL13725480 0.79 F10 (0.47) F10POLBKLKB1CNR1CNR2
SCHEMBL3830778 0.79 F10 (0.59) F10POLBKLKB1CNR1CNR2

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
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US claimed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 EP claimed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP claimed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO claimed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 US disclosed
US-7407974-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 EP 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 (2 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-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 F10 11/4885POLB 2610/4885KLKB1 116/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI F10 10/4885POLB 2880/4885KLKB1 110/4885

“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.