SCHEMBL1736467

SCHEMBL1736467

Cc1ccc2c(c1)[C@H](N)CC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.48
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
IDO1 P14902 1/20 0.39
AADAT Q8N5Z0 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
SCHEMBL354107 1.00 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BDRD2
SCHEMBL14537583 1.00 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BDRD2
SCHEMBL13102425 1.00 ACHE (0.48) ACHEHTR2CSLC6A4HTR2BDRD2
Acetic Acid SCHEMBL355746 0.90 ACHE (0.51) ACHEHTR2CSLC6A4HTR2BDRD2
SCHEMBL5273464 0.89 ACHE (0.51) ACHEHTR2CSLC6A4HTR2BDRD2
SCHEMBL609159 0.89 ACHE (0.51) ACHEHTR2CSLC6A4HTR2BDRD2
SCHEMBL16543142 0.89 ACHE (0.51) ACHEHTR2CSLC6A4HTR2BDRD2
Hydrochloric Acid SCHEMBL30098541 0.87 ACHE (0.50) ACHEHTR2CSLC6A4HTR2BDRD2
SCHEMBL12052376 0.84 SRD5A1 (0.46) ACHESLC6A4DRD2DRD1AADAT
SCHEMBL12052413 0.84 SRD5A1 (0.46) ACHESLC6A4DRD2DRD1AADAT

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 17 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
US-8759584-B2 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
CN-101945879-B Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates BAYER CROPSCIENCE AG 2013-08-14 CN disclosed
EP-2231679-B1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2011-11-16 EP disclosed
CN-101945879-A Biguanides and triazine and synthetic as the biguanides base aluminium mixture of intermediate BAYER CROPSCIENCE AG 2011-01-12 CN disclosed
US-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2231679-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES Bayer CropScience AG (DE) 2010-09-29 EP disclosed
WO-2009077059-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2009-06-25 WO disclosed
EP-2070934-A1 Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates Bayer CropScience AG (DE) 2009-06-17 EP 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 (6 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 ACHE 173/4885HTR2C 1546/4885SLC6A4 3859/4885
US-20140243314-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ACHE 173/4885HTR2C 1546/4885SLC6A4 3859/4885
US-20140228321-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS LIPG, PNLIP, LPL ACHE 1022/4885HTR2C 3438/4885SLC6A4 4393/4885
US-20140235608-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL ACHE 346/4885HTR2C 2543/4885SLC6A4 4282/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP ACHE 496/4885HTR2C 2565/4885SLC6A4 4156/4885
US-20100305317-A1 SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES ATIC, SRM, F12 ACHE 3328/4885HTR2C 2272/4885SLC6A4 2759/4885

“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.