SCHEMBL19958952

SCHEMBL19958952

CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
CACNA1I Q9P0X4 7/20 0.52
HTR7 P34969 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1H O95180 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRA1A P35348 4/20 0.31
ADRA1B P35368 4/20 0.31
LIPG Q9Y5X9 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19958949 0.86 KCNH2 (0.45) KCNH2CACNA1IHTR7GNAO1CARM1
SCHEMBL19958942 0.83 CACNA1I (0.40) KCNH2CACNA1ICACNA1HCYP2D6
SCHEMBL21673666 0.81 KCNH2 (0.48) KCNH2CACNA1IGNAO1TMEM97SIGMAR1
SCHEMBL14768720 0.78 GNAI3 (0.38) KCNH2CACNA1IGNAI3GNAO1GNAI1
SCHEMBL21214167 0.78 GNAI3 (0.51) KCNH2CACNA1IGNAI3GNAO1GNAI1
SCHEMBL23919190 0.78 CACNA1I (0.49) KCNH2CACNA1IGNAI3GNAO1GNAI1
SCHEMBL10246565 0.78 GNAI3 (0.38) KCNH2CACNA1IGNAI3GNAO1GNAI1
SCHEMBL4286396 0.77 KCNH2 (0.48) KCNH2CACNA1IGNAO1CYP2D6ADRA1A
SCHEMBL18591842 0.77 KCNH2 (0.42) KCNH2CACNA1IHTR7CARM1PRMT6
SCHEMBL14614920 0.77 GNAO1 (0.47) KCNH2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use YALE UNIVERSITY (US) 2023-12-05 US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 US disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 US disclosed
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 US disclosed
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-03-15 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-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL KCNH2 4861/4885CACNA1I 4870/4885HTR7 4458/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 KCNH2 4867/4885CACNA1I 4710/4885HTR7 3910/4885
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN KCNH2 4741/4885CACNA1I 4573/4885HTR7 3680/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KCNH2 4850/4885CACNA1I 4439/4885HTR7 3657/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 KCNH2 3892/4885CACNA1I 2783/4885HTR7 39/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 KCNH2 4873/4885CACNA1I 4812/4885HTR7 3854/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN KCNH2 4836/4885CACNA1I 4123/4885HTR7 3202/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL KCNH2 4805/4885CACNA1I 4748/4885HTR7 4132/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN KCNH2 4712/4885CACNA1I 4452/4885HTR7 2325/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL KCNH2 4805/4885CACNA1I 4748/4885HTR7 4132/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 KCNH2 4867/4885CACNA1I 4710/4885HTR7 3910/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N KCNH2 4858/4885CACNA1I 4612/4885HTR7 4270/4885

“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.