SCHEMBL3329374

SCHEMBL3329374

O=C(NC1CC1)C1CNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
EPHX1 P07099 2/20 0.43
GBA1 P04062 1/20 0.41
EPHX2 P34913 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MAPK1 P28482 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 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
Hydrochloric Acid SCHEMBL954352 0.98 POLB (0.57) POLBEPHX1GBA1EPHX2NPSR1
Hydrochloric Acid SCHEMBL21639854 0.90 EPHX2 (0.52) POLBEPHX1GBA1EPHX2NPSR1
Hydrochloric Acid SCHEMBL21639853 0.90 EPHX2 (0.52) POLBEPHX1GBA1EPHX2NPSR1
SCHEMBL30473902 0.89 POLB (0.77) POLBEPHX1EPHX2KDM5A
SCHEMBL21640716 0.89 POLB (0.53) POLBEPHX1EPHX2NPSR1MAPK1
Hydrochloric Acid SCHEMBL953708 0.89 POLB (0.53) POLBEPHX1EPHX2MMP2MMP8
Hydrochloric Acid SCHEMBL30473873 0.87 POLB (0.74) POLBEPHX1EPHX2KDM5A
Hydrochloric Acid SCHEMBL21640754 0.87 POLB (0.52) POLBEPHX1EPHX2NPSR1MAPK1
SCHEMBL30282890 0.86 POLB (0.50) POLBEPHX1EPHX2MAPK1KDM5A
SCHEMBL3330730 0.85 POLB (0.64) POLBEPHX1GBA1EPHX2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117945-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2022-04-21 US disclosed
US-20220117945-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2022-04-21 US disclosed
EP-3601276-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2020-02-05 EP disclosed
CN-110461835-A Isoxazole benzamide compound and application thereof NOVARTIS AG 2019-11-15 CN disclosed
WO-2018172997-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2018-09-27 WO disclosed
US-20180271837-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2018-09-27 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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 (5 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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 POLB 4496/4885EPHX1 1364/4885GBA1 606/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 POLB 4715/4885EPHX1 1309/4885GBA1 953/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 POLB 1874/4885EPHX1 428/4885GBA1 857/4885
US-20180271837-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, SLC26A3, SLC8B1 POLB 3474/4885EPHX1 2835/4885GBA1 610/4885
US-20220117945-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF SLC26A4, SLC26A3, ALDH5A1 POLB 3318/4885EPHX1 2795/4885GBA1 510/4885

“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.