SCHEMBL3400328

SCHEMBL3400328

CCN(CC)CCC[CH]C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
PAOX Q6QHF9 1/20 0.37
MAPT P10636 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
SLC2A1 P11166 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31

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
SCHEMBL4708783 0.94 NPSR1 (0.41) NPSR1ALDH1A1PAOXMAPTAPOBEC3A
SCHEMBL1135131 0.80 ALDH1A1 (0.41) NPSR1ALDH1A1PAOXMAPTAPOBEC3A
SCHEMBL196011 0.75
SCHEMBL28147563 0.75 ALDH1A1 (0.40) NPSR1ALDH1A1PAOXMAPTCYP1A2
SCHEMBL6682011 0.75 NPSR1 (0.39) NPSR1ALDH1A1PAOXAPOBEC3AAPOBEC3G
SCHEMBL736604 0.75 NPSR1 (0.39) NPSR1ALDH1A1PAOXAPOBEC3AAPOBEC3G
SCHEMBL1416084 0.73
SCHEMBL177754 0.73 NPSR1 (0.47) NPSR1ALDH1A1PAOXAPOBEC3AAPOBEC3G
SCHEMBL4705286 0.73 HPGD (0.32) NPSR1
SCHEMBL11322157 0.71 FAAH (0.57) NPSR1MAPTLMNATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150593-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2019-04-24 EP claimed
EP-3150593-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2017-04-05 EP claimed
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US claimed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 US claimed
EP-2222162-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute (US) 2010-09-01 EP claimed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 WO claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-16 US disclosed
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-19 US disclosed
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 US disclosed
US-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 US disclosed
EP-3912973-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2021-11-24 EP disclosed
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-05 US disclosed
WO-2007019884-A1 NOVEL 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US disclosed
US-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 US disclosed
US-20050256154-A1 4-Amino-thieno[3,2-c]pyridine-7-carboxylic acid amides LUK KIN-CHUN 2005-11-17 US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 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 (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-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 NPSR1 4609/4885ALDH1A1 2243/4885PAOX 2008/4885
US-20050256154-A1 4-Amino-thieno[3,2-c]pyridine-7-carboxylic acid amides FGFR3, FGFR4, FGFR1 NPSR1 3059/4885ALDH1A1 364/4885PAOX 1118/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 NPSR1 4623/4885ALDH1A1 2024/4885PAOX 1920/4885
US-11932646-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 NPSR1 4623/4885ALDH1A1 2024/4885PAOX 1920/4885
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 NPSR1 4609/4885ALDH1A1 2243/4885PAOX 2008/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 NPSR1 4460/4885ALDH1A1 2975/4885PAOX 1573/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 NPSR1 3990/4885ALDH1A1 654/4885PAOX 394/4885
US-20240158403-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 NPSR1 4595/4885ALDH1A1 2144/4885PAOX 920/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 NPSR1 557/4885ALDH1A1 268/4885PAOX 1987/4885

“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.