SCHEMBL21025889

SCHEMBL21025889

CC(C)(C)Cc1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
ESR1 P03372 1/20 0.36
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
AR P10275 1/20 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
SCHEMBL2391102 0.83 KDM4E (0.33)
SCHEMBL21025630 0.81 MAPT (0.35) DRD2DRD4DRD3
SCHEMBL20234511 0.80 HSD11B1 (0.38) HSD11B1
SCHEMBL20234514 0.80 HSD11B1 (0.38) HSD11B1
SCHEMBL2392194 0.74 SIRT6 (0.40) HSD11B1
SCHEMBL18356972 0.72 HDAC1 (0.43)
SCHEMBL20149643 0.72 CHRNB2 (0.56)
SCHEMBL12142421 0.72 HDAC2 (0.38) DRD2DRD4DRD3
SCHEMBL10316659 0.69 HTT (0.32)
SCHEMBL22021689 0.69 HTT (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (1 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HSD11B1 4059/4885ESR1 2715/4885S1PR4 2498/4885

“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.