SCHEMBL19963605

SCHEMBL19963605

CC(C)(C)OCC[C@@H]1CCCN(CCOC(C)(C)CCC(C)(C)OCC[C@H]2CCCN(CCOC(C)(C)C)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 5/20 0.33
SLC6A11 P48066 7/20 0.33
KCNH2 Q12809 3/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
SLC6A12 P48065 2/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 3/20 0.30
CHRM2 P08172 2/20 0.30
HTR1A P08908 2/20 0.30
ADRA2A P08913 2/20 0.30

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
SCHEMBL20234525 1.00 SLC6A1 (0.33) SLC6A1SLC6A11KCNH2TP53CYP3A4
SCHEMBL19958985 0.93 SLC6A1 (0.36) SLC6A1SLC6A11KCNH2TP53CYP3A4
SCHEMBL19958983 0.93 SLC6A1 (0.36) SLC6A1SLC6A11KCNH2TP53CYP3A4
SCHEMBL19958980 0.93 SLC6A1 (0.36) SLC6A1SLC6A11KCNH2TP53CYP3A4
SCHEMBL20325210 0.88 SLC6A2 (0.31) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL23314115 0.82 SLC6A2 (0.34) SLC6A1SLC6A11KCNH2TP53CYP3A4
SCHEMBL19958982 0.81 SLC6A1 (0.36) SLC6A1SLC6A11KCNH2TP53CYP3A4
SCHEMBL21471908 0.80 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL22006112 0.80 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL10192211 0.79 SMN1; SMN2 (0.34) KCNH2TP53CYP3A4CACNA1ISMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-08-25 US disclosed
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-05-04 US disclosed
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides ARVINAS OPERATIONS, INC. (US) 2020-10-20 US disclosed
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-07-12 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 (8 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN SLC6A1 4654/4885SLC6A11 4612/4885KCNH2 4741/4885
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL SLC6A1 4238/4885SLC6A11 4351/4885KCNH2 4792/4885
US-10994015-B2 EGFR proteolysis targeting chimeric molecules and associated methods of use EGFR, ERBB2, ERBB3 SLC6A1 4242/4885SLC6A11 4441/4885KCNH2 4873/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 SLC6A1 521/4885SLC6A11 532/4885KCNH2 3892/4885
US-20180193470-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE EGFR, ERBB2, ERBB3 SLC6A1 4242/4885SLC6A11 4441/4885KCNH2 4873/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL SLC6A1 4019/4885SLC6A11 4216/4885KCNH2 4822/4885
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 SLC6A1 3733/4885SLC6A11 3700/4885KCNH2 4852/4885
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides MDM2, CRBN, FLT3 SLC6A1 3790/4885SLC6A11 3823/4885KCNH2 4856/4885

“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.