SCHEMBL20330004

SCHEMBL20330004

CCOCCN1CCN(c2ccc(C(C)NC(C)(C)C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ DRD4 P21917 3/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL18591772 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD4
SCHEMBL30230245 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DRD2KDM4E
SCHEMBL25839407 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3DRD2KDM4E
SCHEMBL22419324 0.78 POLB (0.43) DRD2KDM4EGAADRD4HRH3
SCHEMBL8351022 0.76 HRH3 (0.61) HRH3
SCHEMBL4576592 0.76 HRH3 (0.46) SLC6A2SLC6A4DRD2KDM4EGAA
SCHEMBL8351016 0.76 DRD2 (0.44) DRD2KDM4EGAADRD4HRH3
SCHEMBL4576188 0.74 DRD2 (0.49) DRD2KDM4EGAAHRH3HSD17B10
SCHEMBL1809859 0.74 KDM4E (0.63) DRD2KDM4EGAAHSD17B10SIGMAR1
SCHEMBL8352031 0.74 DRD2 (0.49) DRD2KDM4EGAAHRH3HSD17B10

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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 — — US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 — — 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-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL SLC6A2 4559/4885SLC6A4 4578/4885SLC6A3 4535/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 SLC6A2 4678/4885SLC6A4 4378/4885SLC6A3 4205/4885

“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.

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