SCHEMBL6578719

SCHEMBL6578719

CN1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
KMT2A Q03164 3/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.51
ALOX15 P16050 2/20 0.50
HSP90AA1 P07900 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HRH4 Q9H3N8 6/20 0.48
ALDH1A1 P00352 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL30314408 0.82 HSD11B1 (0.62) POLBKMT2ATSHRHPGDMEN1
SCHEMBL4059188 0.82 POLB (0.59) POLBKMT2ATSHRHPGDL3MBTL1
SCHEMBL15107888 0.79 POLB (0.60) POLBKMT2ATSHRHPGDL3MBTL1
SCHEMBL798155 0.79 PHGDH (0.60) POLBKMT2ATSHRHPGDL3MBTL1
SCHEMBL17308097 0.79 HRH4 (0.53) POLBKMT2ATSHRMEN1ALOX15
SCHEMBL17700096 0.78 HPGD (0.57) KMT2ATSHRHPGDALDH1A1
SCHEMBL13240723 0.78 HSD11B1 (0.71) POLBKMT2ATSHRHPGDL3MBTL1
SCHEMBL12985827 0.77 POLB (0.57) POLBKMT2ATSHRHPGDL3MBTL1
SCHEMBL13503815 0.77 HPGD (0.70) POLBKMT2ATSHRHPGDL3MBTL1
SCHEMBL2002251 0.76 PROKR1 (0.46) POLBKMT2AHPGDMEN1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US disclosed
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP disclosed
US-6686364-B2 4-HYDROXY-3-((3,5-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2004-02-03 US disclosed
EP-0813525-B1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2003-10-01 EP disclosed
US-6479485-B2 4-HYDROXY-3-((3,4-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; INHIBITION OF BLOOD COAGGULATION FACTOR XA BERLEX LABORATORIES, INC. 2002-11-12 US disclosed
US-6350746-B1 FACTOR XA ENZYME INHIBITORS BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
US-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 US disclosed
US-6034103-A THROMBOSIS THERAPY BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US disclosed
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5877181-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-02 US disclosed
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 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-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A POLB 1698/4885KMT2A 2177/4885TSHR 1037/4885

“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.