SCHEMBL172434

SCHEMBL172434

COc1ccc(C(C)C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC10A2 Q12908 1/20 0.37
NQO2 P16083 3/20 0.36
ACHE P22303 1/20 0.35
MAPT P10636 4/20 0.35
MC4R P32245 1/20 0.34
ALDH1A1 P00352 5/20 0.33
PRNP P04156 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NQO1 P15559 1/20 0.33
TSHR P16473 1/20 0.33
CASR P41180 2/20 0.33
CYP3A4 P08684 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 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
SCHEMBL171074 0.84 KDM4E (0.49) KDM4EL3MBTL1SLC10A2NQO2ACHE
SCHEMBL31003128 0.84 KDM4E (0.49) KDM4EL3MBTL1SLC10A2NQO2ACHE
SCHEMBL11951616 0.82 TLR8 (0.35) KDM4EL3MBTL1MAPT
SCHEMBL21238615 0.79 SLC10A2 (0.37) KDM4EL3MBTL1SLC10A2NQO2ACHE
SCHEMBL20780490 0.79 NQO2 (0.41) KDM4EL3MBTL1SLC10A2NQO2MAPT
SCHEMBL12051661 0.79 KDM4E (0.41) KDM4EL3MBTL1MAPTALDH1A1TSHR
SCHEMBL15980659 0.78 SLC10A2 (0.53) KDM4EL3MBTL1SLC10A2MAPTALDH1A1
SCHEMBL18611232 0.78 NQO2 (0.37) KDM4ESLC10A2NQO2MAPTMC4R
SCHEMBL26860157 0.78 SLC10A2 (0.36) KDM4EL3MBTL1SLC10A2NQO2MAPT
SCHEMBL25911059 0.78 TLR8 (0.42) KDM4EL3MBTL1SLC10A2NQO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB KDM4E 309/4885L3MBTL1 279/4885SLC10A2 226/4885
US-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP KDM4E 1437/4885L3MBTL1 2269/4885SLC10A2 562/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885L3MBTL1 4782/4885SLC10A2 1704/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 KDM4E 4542/4885L3MBTL1 4265/4885SLC10A2 1530/4885
US-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 KDM4E 1604/4885L3MBTL1 4161/4885SLC10A2 2633/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 KDM4E 1604/4885L3MBTL1 4161/4885SLC10A2 2633/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK KDM4E 472/4885L3MBTL1 4080/4885SLC10A2 2852/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB KDM4E 309/4885L3MBTL1 279/4885SLC10A2 226/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 KDM4E 1795/4885L3MBTL1 4347/4885SLC10A2 889/4885

“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.