SCHEMBL355300

SCHEMBL355300

CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.55
GPR119 Q8TDV5 3/20 0.48
DRD4 P21917 2/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 2/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
RBP4 P02753 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RET P07949 2/20 0.45
EGLN2 Q96KS0 1/20 0.45

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
SCHEMBL16935349 0.91 BACE1 (0.49) BACE1GPR119KCNH2LMNANR1H2
SCHEMBL31402917 0.90 RET (0.47) BACE1GPR119DRD4RET
SCHEMBL31402999 0.86 RET (0.48) BACE1GPR119DRD4RETEGLN2
SCHEMBL23220924 0.86 MEN1 (0.49) GPR119LMNANR1H2NR1H3ALDH1A1
SCHEMBL31403108 0.85 CYP11B2 (0.54) BACE1RET
SCHEMBL652725 0.85 MEN1 (0.52) GPR119LMNANR1H2NR1H3ALDH1A1
SCHEMBL29665264 0.85 MAPT (0.54) BACE1GPR119LMNANR1H2NR1H3
SCHEMBL594432 0.85 MAPT (0.54) BACE1GPR119LMNANR1H2NR1H3
SCHEMBL2459991 0.85 GPR119 (0.50) GPR119LMNANR1H2NR1H3ALDH1A1
SCHEMBL2462125 0.84 ALDH1A1 (0.51) BACE1GPR119LMNANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219952-A1 MELANOCORTIN TYPE 2 RECEPTOR (MC2R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2023-11-16 WO disclosed
US-10239849-B2 Cyanopyridine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. 2019-03-26 US disclosed
US-20180327374-A1 Cyanopyridine Derivatives as Liver X Receptor Beta Agonists, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2018-11-15 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US disclosed
WO-2011115183-A1 NOVEL MONOCYCLIC PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-09-22 WO disclosed
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 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 (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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R BACE1 1978/4885GPR119 58/4885DRD4 848/4885
US-20180327374-A1 Cyanopyridine Derivatives as Liver X Receptor Beta Agonists, Compositions, and Their Use NR1H2, NR1H3, ADRB1 BACE1 190/4885GPR119 9/4885DRD4 984/4885
US-10239849-B2 Cyanopyridine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, ADRB1 BACE1 190/4885GPR119 9/4885DRD4 984/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN BACE1 1635/4885GPR119 844/4885DRD4 4052/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 BACE1 118/4885GPR119 629/4885DRD4 4163/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 BACE1 118/4885GPR119 629/4885DRD4 4163/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN BACE1 1718/4885GPR119 869/4885DRD4 4192/4885

“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.