SCHEMBL13432005

SCHEMBL13432005

NCCCNC(=O)C1CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
CHRNB2 P17787 6/20 0.50
CHRNB4 P30926 6/20 0.50
CHRNA3 P32297 6/20 0.50
CHRNA4 P43681 6/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRM1 Q13255 2/20 0.48
GNAI3 P08754 2/20 0.48
GNAO1 P09471 2/20 0.48
GNAI1 P63096 2/20 0.48
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
Hydrochloric Acid SCHEMBL1285234 0.98 NAAA (0.54) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16357639 0.96 NAAA (0.61) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13300769 0.94 NAAA (0.64) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3794825 0.92 GNAI3 (0.50) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8355467 0.89 NAAA (0.67) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19630921 0.89 NAAA (0.67) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4679015 0.88 NAAA (0.50) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3247411 0.87 NAAA (0.70) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22170865 0.87 NAAA (0.70) NAAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6805131 0.86 NAAA (0.44) NAAACHRNB2CHRNB4CHRNA3CHRNA4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-10-26 US disclosed
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-10-26 US disclosed
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 US disclosed
CN-114258318-A Aminopyrimidine amide autophagy inhibitors and methods of use thereof 德西费拉制药有限责任公司 2022-03-29 CN disclosed
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2021-05-06 US disclosed
WO-2020257180-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2020-12-24 WO disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
CN-105473596-B Pyrazole compound and application thereof as follicle-stimulating hormone receptor regulator 默克专利有限公司 2019-04-30 CN disclosed
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2018-12-13 US disclosed
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
EP-3013832-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 EP disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR NAAA 4193/4885CHRNB2 1633/4885CHRNB4 1371/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 NAAA 4405/4885CHRNB2 820/4885CHRNB4 445/4885
US-10081637-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR NAAA 4193/4885CHRNB2 1633/4885CHRNB4 1371/4885
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 NAAA 1803/4885CHRNB2 4828/4885CHRNB4 4840/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR NAAA 4193/4885CHRNB2 1633/4885CHRNB4 1371/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 NAAA 1803/4885CHRNB2 4828/4885CHRNB4 4840/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 NAAA 3669/4885CHRNB2 4553/4885CHRNB4 4791/4885
US-20180354965-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR NAAA 4193/4885CHRNB2 1633/4885CHRNB4 1371/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 NAAA 1803/4885CHRNB2 4828/4885CHRNB4 4840/4885

“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.