SCHEMBL15945566

SCHEMBL15945566

Cc1ccc2c(c1)[C@H](N[S@+]([O-])C(C)(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PDE10A Q9Y233 2/20 0.34
PDPK1 O15530 1/20 0.34
CCR2 P41597 2/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
IDO1 P14902 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
CYP2D6 P10635 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL23275508 0.84 HTR2A (0.38) MAOAMAOBPDPK1IDO1PDE4A
SCHEMBL27134670 0.84 HTR2A (0.38) TRPV1MAOAMAOBPDE10APDPK1
SCHEMBL30563689 0.84 HTR2A (0.38) TRPV1MAOAMAOBPDE10APDPK1
SCHEMBL31695171 0.84 MAOA (0.35) MAOAMAOBPDPK1PDE4APDE4B
SCHEMBL26962539 0.84 HTR2A (0.38) TRPV1MAOAMAOBPDE10APDPK1
SCHEMBL14829890 0.82 KDM1A (0.49) TRPV1CCR2HTR2CSLC6A4HTR2B
SCHEMBL30563678 0.82 PDE4A (0.50) MAOAMAOBPDE4APDE4BPDE4C
SCHEMBL27133878 0.82 PDE4A (0.50) MAOAMAOBPDE4APDE4BPDE4C
SCHEMBL14829889 0.82 KDM1A (0.49) TRPV1CCR2HTR2CSLC6A4HTR2B
SCHEMBL26962383 0.82 PDE4A (0.50) MAOAMAOBPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493412-B2 Pyrrolinone carboxamide compounds useful as endothelial lipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 US disclosed
US-8993557-B2 Pyridinedione carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-31 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
US-8946430-B2 Quinolinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-03 US disclosed
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed
US-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-21 US disclosed
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-14 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 (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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL TRPV1 3137/4885MAOA 209/4885MAOB 228/4885
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL TRPV1 3137/4885MAOA 209/4885MAOB 228/4885
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL TRPV1 2587/4885MAOA 440/4885MAOB 454/4885
US-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL TRPV1 3115/4885MAOA 200/4885MAOB 196/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP TRPV1 3811/4885MAOA 407/4885MAOB 387/4885

“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.