SCHEMBL22959697

SCHEMBL22959697

C[C@@H](OC(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
HCAR2 Q8TDS4 1/20 0.40
ADRA2B P18089 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A4 P31645 2/20 0.39
CACNA1F O60840 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2C P18825 2/20 0.38

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
SCHEMBL11966010 1.00 RIPK1 (0.42) RIPK1HCAR2ADRA2BCHRM2CHRM1
SCHEMBL9502842 1.00 RIPK1 (0.42) RIPK1HCAR2ADRA2BCHRM2CHRM1
SCHEMBL24434579 0.82 RIPK1 (0.44) RIPK1HCAR2ADRA2BCHRM2CHRM1
SCHEMBL7851156 0.79 TACR1 (0.39) RIPK1HCAR2ADRA2BCHRM2CHRM1
SCHEMBL20002096 0.79 RIPK1 (0.37) RIPK1HCAR2ADRA2BCHRM2CHRM1
SCHEMBL23032124 0.78 HTT (0.41) RIPK1ADRA2BCHRM2CHRM1ADRA1A
SCHEMBL4004807 0.78 RIPK1 (0.39) RIPK1ADRA2BCHRM2CHRM1ADRA1A
SCHEMBL7654223 0.77 RIPK1 (0.39) RIPK1HCAR2ADRA2BCHRM2CHRM1
SCHEMBL18355380 0.77 IDO1 (0.40) CHRM1SLC6A3SLC6A4HRH1CYP2D6
SCHEMBL7182617 0.77 ALDH1A1 (0.41) RIPK1HCAR2ADRA2BCHRM2CHRM1

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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 US disclosed
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-11 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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 RIPK1 1234/4885HCAR2 3523/4885ADRA2B 4402/4885
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 RIPK1 1234/4885HCAR2 3523/4885ADRA2B 4402/4885

“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.