SCHEMBL11955152

SCHEMBL11955152

CC(C)(C)c1ccc(N2CCOC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
RCOR1 Q9UKL0 2/20 0.42
TNKS O95271 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PRKDC P78527 2/20 0.40
GRM2 Q14416 1/20 0.39
PIK3CD O00329 1/20 0.39
CCR6 P51684 1/20 0.38
HSD11B1 P28845 1/20 0.38
RAB9A P51151 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CCNA2 P20248 3/20 0.37

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
SCHEMBL20272764 0.81 DGAT1 (0.43) DGAT1KDM1AMAOAMAOBRCOR1
SCHEMBL2535612 0.80 DGAT1 (0.51) DGAT1KDM1AMAOAMAOBRCOR1
SCHEMBL1377738 0.78 KDM1A (0.46) DGAT1KDM1AMAOAMAOBRCOR1
SCHEMBL5738502 0.77 F10 (0.53) DGAT1DRD2DRD3KCNH2LMNA
SCHEMBL13167913 0.77 HSD11B1 (0.47) KDM1AMAOAMAOBRCOR1TNKS
SCHEMBL2646792 0.77 KDM1A (0.45) KDM1AMAOAMAOBRCOR1TNKS
SCHEMBL2535607 0.77 TNKS (0.45) DGAT1KDM1AMAOAMAOBRCOR1
SCHEMBL29348761 0.77 TNKS (0.45) DGAT1KDM1AMAOAMAOBRCOR1
SCHEMBL1455890 0.77 BCL2 (0.48) KDM1AMAOAMAOBRCOR1TNKS
SCHEMBL6099462 0.77 TNKS (0.45) KDM1AMAOAMAOBRCOR1TNKS

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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-9718796-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718796-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS, INC. 2014-03-06 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK DGAT1 4538/4885KDM1A 1770/4885MAOA 1330/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK DGAT1 4741/4885KDM1A 2007/4885MAOA 1163/4885
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY LRRK2, PARK7, PINK1 DGAT1 2439/4885KDM1A 732/4885MAOA 1288/4885
US-20140066432-A1 Substituted Benzoazepines As Toll-Like Receptor Modulators TLR8, TLR9, TLR1 DGAT1 1423/4885KDM1A 707/4885MAOA 2721/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 DGAT1 3169/4885KDM1A 1326/4885MAOA 1186/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 DGAT1 3727/4885KDM1A 1636/4885MAOA 1337/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK DGAT1 4661/4885KDM1A 1633/4885MAOA 1176/4885

“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.