SCHEMBL22007474

SCHEMBL22007474

CCC(C)C(=O)c1ccc(OC(C)CCNC(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
ABL1 P00519 2/20 0.34
ACACB O00763 6/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.33
NR3C1 P04150 1/20 0.32
ACACA Q13085 2/20 0.32

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
SCHEMBL18592271 0.89 ABL1 (0.36) HRH3ABL1ACACBKDM4EALDH1A1
SCHEMBL20132881 0.88 ABL1 (0.40) HRH3ABL1ACACBKDM4EALDH1A1
SCHEMBL24654222 0.87 ABL1 (0.35) HRH3ABL1ACACBKDM4EALDH1A1
SCHEMBL20046551 0.82 ABL1 (0.35) HRH3ABL1ACACBKDM4EALDH1A1
SCHEMBL21026078 0.80 ABL1 (0.35) ABL1ACACBNR3C1ACACA
SCHEMBL20133266 0.79 ACACB (0.36) ABL1ACACBACACA
SCHEMBL20330345 0.78 ABL1 (0.37) ABL1ACACBKDM4EALDH1A1TDP1
SCHEMBL20234213 0.77 ABL1 (0.41) ABL1ACACBKDM4EALDH1A1TDP1
SCHEMBL18612223 0.74 MTNR1A (0.40) ABL1ACACBKDM4EALDH1A1ACACA
SCHEMBL24856127 0.73 ABL1 (0.38) ABL1ACACBKDM4ETDP1NR3C1

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-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 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 (3 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-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HRH3 3537/4885ABL1 2227/4885ACACB 1444/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN HRH3 3537/4885ABL1 2227/4885ACACB 1444/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 HRH3 3844/4885ABL1 1689/4885ACACB 2983/4885

“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.