SCHEMBL950509

SCHEMBL950509

COC(=O)[C@@H](N)Cc1ccc(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.46
TACR1 P25103 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
LTA4H P09960 1/20 0.40
HCRTR1 O43613 1/20 0.39

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
SCHEMBL15807803 1.00 IDO1 (0.46) IDO1TACR1NR3C1PGRNR3C2
SCHEMBL19971042 0.85 IDO1 (0.43) IDO1MEN1KMT2ALTA4HHCRTR1
SCHEMBL15804495 0.85 IDO1 (0.43) IDO1MEN1KMT2ALTA4HHCRTR1
SCHEMBL5763376 0.84 NR3C1 (0.42) IDO1NR3C1PGRNR3C2MEN1
SCHEMBL22035469 0.84 LMNA (0.43) TACR1PTGS2MAPTMEN1KMT2A
SCHEMBL28572692 0.84 LMNA (0.43) TACR1PTGS2MAPTMEN1KMT2A
SCHEMBL29671128 0.84 LMNA (0.43) TACR1PTGS2MAPTMEN1KMT2A
SCHEMBL25184594 0.83 KDM4E (0.59) IDO1PTGS2MAPTMEN1KMT2A
SCHEMBL22113081 0.83 NLRP3 (0.45) IDO1MEN1KMT2ALMNATSHR
SCHEMBL2586006 0.83 NLRP3 (0.45) IDO1MEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190308943-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2019-10-10 US disclosed
US-10246425-B2 3,5-diamino-6-chloro-N-(N-(4-phenylbutyl)carbamimidoyl) pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2019-04-02 US disclosed
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2017-12-21 US disclosed
US-9695134-B2 3,5-diamino-6-chloro-N-(n-(4-phenylbutyl)carbamimidoyl)pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2017-07-04 US disclosed
US-9593084-B2 Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity PARION SCIENCES, INC. (US) 2017-03-14 US disclosed
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2015-10-22 US disclosed
US-9029382-B2 3,5-diamino-6-chloro-N-(N-(4-phenylbutyl)carbamimidoyl) pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2015-05-12 US disclosed
US-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-19 US disclosed
US-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130338164-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1150997-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-11-07 EP disclosed
EP-1147091-A2 FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-24 EP disclosed
EP-1144364-A2 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000051974-A1 ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2000-09-08 WO disclosed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN disclosed
WO-2000043371-A2 FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
WO-2000043354-A2 MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
WO-2000043415-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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 (7 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-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A IDO1 3005/4885TACR1 893/4885NR3C1 2986/4885
US-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO IDO1 2811/4885TACR1 3516/4885NR3C1 4104/4885
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A IDO1 3307/4885TACR1 1011/4885NR3C1 2869/4885
US-20190308943-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A IDO1 3005/4885TACR1 893/4885NR3C1 2986/4885
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A IDO1 3005/4885TACR1 893/4885NR3C1 2986/4885
US-20130338164-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 IDO1 2173/4885TACR1 1015/4885NR3C1 1554/4885
US-10246425-B2 3,5-diamino-6-chloro-N-(N-(4-phenylbutyl)carbamimidoyl) pyrazine-2-carboxamide compounds CFTR, SCNN1B, SCN5A IDO1 3005/4885TACR1 893/4885NR3C1 2986/4885

“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.