SCHEMBL69876

SCHEMBL69876

O=C(O)c1cn(-c2ccccc2)nn1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.62
P2RX7 Q99572 1/20 0.55
NOTUM Q6P988 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
RIPK1 Q13546 1/20 0.51
MAOA P21397 1/20 0.49
HPGDS O60760 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
SPR P35270 1/20 0.47
NPC1 O15118 1/20 0.47
MIF P14174 1/20 0.46

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
SCHEMBL28801446 0.98 ESRRA (0.60) ESRRAP2RX7NOTUML3MBTL1CA1
SCHEMBL31734379 0.90 HPGDS (0.57) ESRRAP2RX7NOTUML3MBTL1CA1
SCHEMBL1749529 0.90 OGT (0.53) ESRRACA1CA2CA4CA9
SCHEMBL27768462 0.89 ESRRA (0.71) ESRRAP2RX7NOTUML3MBTL1CA1
SCHEMBL23153549 0.85 ESRRA (0.59) ESRRAP2RX7NOTUML3MBTL1CA1
SCHEMBL19691104 0.85 ESRRA (0.63) ESRRAP2RX7NOTUML3MBTL1CA1
SCHEMBL27877288 0.85 ESRRA (0.57) ESRRACA1CA2CA4CA9
SCHEMBL23889183 0.85 ESRRA (0.59) ESRRAP2RX7NOTUML3MBTL1CA1
SCHEMBL4708257 0.85 MAOA (0.49) ESRRANOTUML3MBTL1CA1CA2
SCHEMBL28039291 0.85 ESRRA (0.49) ESRRAP2RX7NOTUML3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-12398147-B2 Macrocyclic spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2025-08-26 US disclosed
EP-4543543-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D ESCIENT PHARMACEUTICALS, INC. (US) 2025-04-30 EP disclosed
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-26 US disclosed
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-09-12 US disclosed
US-12054478-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction HUYABIO INTERNATIONAL, LLC (US) 2024-08-06 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US 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 (9 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ESRRA 2415/4885P2RX7 4273/4885NOTUM 99/4885
US-12054478-B2 Compositions and methods for inhibiting phenyl triazole MLL1-WDR5 protein-protein interaction WDR5, MLLT1, WDR1 ESRRA 2606/4885P2RX7 4071/4885NOTUM 1984/4885
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 ESRRA 2649/4885P2RX7 762/4885NOTUM 960/4885
US-12398147-B2 Macrocyclic spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 ESRRA 2964/4885P2RX7 3631/4885NOTUM 635/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ESRRA 2411/4885P2RX7 4190/4885NOTUM 86/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 ESRRA 2063/4885P2RX7 652/4885NOTUM 4341/4885
US-20240316017-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR RET, ROS1, MST1R ESRRA 200/4885P2RX7 2510/4885NOTUM 4617/4885
US-20240300944-A1 NOVEL UREA DERIVATIVE COMPOUND AS RON INHIBITOR CDKN1A, RET, UBTF ESRRA 512/4885P2RX7 4153/4885NOTUM 3879/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ESRRA 2415/4885P2RX7 4273/4885NOTUM 99/4885

“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.