SCHEMBL13638230

SCHEMBL13638230

CC[C@H](C)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.52
KCNH2 Q12809 1/20 0.52
TSHR P16473 2/20 0.50
KCNE1 P15382 2/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13862942 1.00 KCNA5 (0.52) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL817770 1.00 KCNA5 (0.52) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL10247782 1.00 KCNA5 (0.52) KCNA5KCNH2TSHRKCNE1CYP2D6
Nitric Acid SCHEMBL27472694 0.86 CYP1A2 (0.44) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL20034107 0.83 KCNA5 (0.53) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL22060302 0.83 KCNA5 (0.53) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL16477945 0.83 KCNA5 (0.53) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL1156021 0.83 KCNA5 (0.53) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL11575817 0.83 KCNH2 (0.45) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL14438700 0.83 TSHR (0.51) KCNA5KCNH2TSHRKCNE1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483143-B1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2023-10-18 EP disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
EP-4092012-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2022-11-23 EP disclosed
US-20220056022-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2022-02-24 US disclosed
US-20200397760-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER CYTEIR THERAPEUTICS, INC. 2020-12-24 US disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
US-20190194182-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2019-06-27 US disclosed
EP-3483143-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen, Inc (US) 2019-05-15 EP disclosed
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2017-05-25 US disclosed
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2016-05-19 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
EP-2927213-A1 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer Amgen Inc. (US) 2015-10-07 EP disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20140315895-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2014-10-23 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2014-01-09 US disclosed
US-8569341-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2013-10-29 US disclosed
WO-2011153509-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-08 WO disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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 (11 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-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A KCNA5 4353/4885KCNH2 4697/4885TSHR 4432/4885
US-20200397760-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER RAD51, MRE11, RAD52 KCNA5 4838/4885KCNH2 4807/4885TSHR 3938/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 KCNA5 4418/4885KCNH2 4428/4885TSHR 3122/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 KCNA5 1247/4885KCNH2 2165/4885TSHR 4177/4885
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CXCR4, CXCL12, CXCR1 KCNA5 4311/4885KCNH2 4796/4885TSHR 2055/4885
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A KCNA5 4353/4885KCNH2 4697/4885TSHR 4432/4885
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KCNA5 765/4885KCNH2 1158/4885TSHR 367/4885
US-20220056022-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L KCNA5 4682/4885KCNH2 4755/4885TSHR 3630/4885
US-20190194182-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L KCNA5 4682/4885KCNH2 4755/4885TSHR 3630/4885
US-20140315895-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A KCNA5 4353/4885KCNH2 4697/4885TSHR 4432/4885
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A KCNA5 4353/4885KCNH2 4697/4885TSHR 4432/4885

“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.