SCHEMBL21341622

SCHEMBL21341622

CC(C)COc1cccc(O[C@H]2C[C@@H](NC(C)(C)C)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
TRIM24 O15164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FFAR1 O14842 4/20 0.38
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CASR P41180 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL18591822 0.84 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3FFAR1GRIN1
SCHEMBL18591775 0.84 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3FFAR1GRIN1
SCHEMBL23350043 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3FFAR1KDM4E
SCHEMBL22006216 0.80 CHRM2 (0.36) SLC6A2SLC6A4SLC6A3LNPEP
SCHEMBL21899245 0.78 ACACB (0.36) ACACB
SCHEMBL20329991 0.78 TAAR1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL18591830 0.77 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3CASR
SCHEMBL18592220 0.77 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3CASR
SCHEMBL18591762 0.77 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL24295133 0.77 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028088-B2 Modulators of BTK proteolysis and methods of use YALE UNIVERSITY (US) 2021-06-08 US disclosed
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY 2019-09-12 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 (2 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-11028088-B2 Modulators of BTK proteolysis and methods of use BTK, CBL, CRBN ACACB 1780/4885TRIM24 1023/4885SLC6A2 4744/4885
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN ACACB 1780/4885TRIM24 1023/4885SLC6A2 4744/4885

“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.