SCHEMBL19959015

SCHEMBL19959015

CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
ACHE P22303 1/20 0.37
OPRM1 P35372 8/20 0.36
OPRL1 P41146 8/20 0.36
OPRK1 P41145 6/20 0.33
OPRD1 P41143 3/20 0.33
SIGMAR1 Q99720 6/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 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
SCHEMBL24854258 0.93 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL21933964 0.92 CHRM5 (0.36) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL21933176 0.92 OPRM1 (0.36) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL24856059 0.90 OPRM1 (0.36) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL26138918 0.90 CYP1A2 (0.33) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL21934664 0.90 CYP1A2 (0.36) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL25143821 0.87 OPRM1 (0.32) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL21934667 0.87 OPRM1 (0.40) ACHEOPRM1OPRL1OPRK1OPRD1
SCHEMBL25143392 0.86 OPRM1 (0.30) OPRM1OPRL1OPRK1
SCHEMBL20317409 0.86 CHRM5 (0.34) CHRM5ADRA2CACHEOPRM1OPRL1

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-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 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-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-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230120619-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 2023-04-20 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-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 (11 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CHRM5 4309/4885ADRA2C 4526/4885ACHE 2447/4885
US-20230120619-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF IRAK1, IRAK2, IRAK4 CHRM5 4833/4885ADRA2C 4171/4885ACHE 4700/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 CHRM5 240/4885ADRA2C 91/4885ACHE 518/4885
US-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF IRAK1, IRAK2, IRAK4 CHRM5 4833/4885ADRA2C 4171/4885ACHE 4700/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 CHRM5 4165/4885ADRA2C 3920/4885ACHE 3943/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN CHRM5 3833/4885ADRA2C 3088/4885ACHE 1212/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL CHRM5 4583/4885ADRA2C 4431/4885ACHE 3585/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN CHRM5 3942/4885ADRA2C 3517/4885ACHE 2557/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL CHRM5 4583/4885ADRA2C 4431/4885ACHE 3585/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CHRM5 4309/4885ADRA2C 4526/4885ACHE 2447/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N CHRM5 4106/4885ADRA2C 4574/4885ACHE 1081/4885

“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.