SCHEMBL20128895

SCHEMBL20128895

O=C1CCC(N2C(=O)c3ccc(OCCCCCOCCN4CCNCC4)cc3C2=O)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.54
LRRK2 Q5S007 1/20 0.52
CRBN Q96SW2 12/20 0.51
DDB1 Q16531 8/20 0.51
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 1/20 0.49
OPRM1 P35372 1/20 0.49
IKZF3 Q9UKT9 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EGFR P00533 4/20 0.48

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
SCHEMBL20128892 0.97 IRAK4 (0.52) IRAK4LRRK2CRBNDDB1ALDH1A1
SCHEMBL30432431 0.96 CRBN (0.53) IRAK4LRRK2CRBNDDB1ALDH1A1
SCHEMBL23729483 0.95 CRBN (0.54) IRAK4LRRK2CRBNDDB1ALDH1A1
SCHEMBL23705600 0.93 CRBN (0.56) IRAK4LRRK2CRBNDDB1ALDH1A1
Formic Acid SCHEMBL23705587 0.91 CRBN (0.52) IRAK4LRRK2CRBNDDB1ALDH1A1
Formic Acid SCHEMBL30058723 0.91 CRBN (0.52) IRAK4LRRK2CRBNDDB1ALDH1A1
Formic Acid SCHEMBL23705607 0.89 CRBN (0.53) IRAK4LRRK2CRBNDDB1ALDH1A1
Formic Acid SCHEMBL29617066 0.89 CRBN (0.53) IRAK4LRRK2CRBNDDB1ALDH1A1
SCHEMBL22907356 0.89 CRBN (0.53) IRAK4LRRK2CRBNDDB1ALDH1A1
SCHEMBL20128894 0.89 MAOA (0.57) IRAK4LRRK2CRBNDDB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 US disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN IRAK4 3852/4885LRRK2 40/4885CRBN 3/4885
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 IRAK4 4093/4885LRRK2 94/4885CRBN 1/4885

“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.