SCHEMBL4544770

SCHEMBL4544770

CC(C)(C)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HTT P42858 1/20 0.65
MAPK1 P28482 1/20 0.63
POLB P06746 1/20 0.61
TSHR P16473 4/20 0.60
LMNA P02545 3/20 0.60
TP53 P04637 1/20 0.60
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL16026437 0.87 ALDH1A1 (0.83) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL12788641 0.84 ALDH1A1 (0.65) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL13804475 0.82 ALDH1A1 (0.71) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL1372147 0.82 CYP1A2 (0.75) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL19319095 0.82 MAPK1 (0.64) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL9048604 0.81 KMT2A (0.63) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL12788446 0.81 HTT (0.62) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL1372144 0.80 ALDH1A1 (0.73) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL3099181 0.80 ALDH1A1 (0.73) ALDH1A1NPSR1HTTMAPK1POLB
SCHEMBL13765975 0.80 NPSR1 (0.63) ALDH1A1NPSR1HTTMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-10787455-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 US disclosed
US-20190084990-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-9840460-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 US disclosed
US-9840460-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 US disclosed
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-12-07 US disclosed
US-8901169-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-02 US disclosed
US-8901169-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-02 US disclosed
US-20140256702-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-09-11 US disclosed
US-20140256702-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-09-11 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 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 (12 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 ALDH1A1 2243/4885NPSR1 4609/4885HTT 4705/4885
US-20140256702-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 3584/4885NPSR1 24/4885HTT 538/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ALDH1A1 1159/4885NPSR1 2752/4885HTT 4288/4885
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 ALDH1A1 1135/4885NPSR1 2356/4885HTT 2777/4885
US-20190084990-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ALDH1A1 1904/4885NPSR1 4566/4885HTT 4578/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ALDH1A1 2024/4885NPSR1 4623/4885HTT 4744/4885
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ALDH1A1 2243/4885NPSR1 4609/4885HTT 4705/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ALDH1A1 2975/4885NPSR1 4460/4885HTT 3959/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 ALDH1A1 1153/4885NPSR1 4294/4885HTT 1171/4885
US-20180194718-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 3584/4885NPSR1 24/4885HTT 538/4885
US-10787455-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use BCR, ABL1, MCL1 ALDH1A1 1904/4885NPSR1 4566/4885HTT 4578/4885
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 ALDH1A1 1282/4885NPSR1 4382/4885HTT 4594/4885

“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.