SCHEMBL25053674

SCHEMBL25053674

CCOCCN1CCC(c2ccc(CNC(C)(C)C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.44
▸ HRH1 P35367 3/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL18592218 0.89 DRD2 (0.40) DRD2SLC18A3HTR1ADRD1DRD5
SCHEMBL22419324 0.80 POLB (0.43) DRD2HRH1HTR1AHTR2ADRD3
SCHEMBL22965358 0.78 CARM1 (0.45) DRD2SLC18A3HTR1ADRD1DRD5
SCHEMBL13612743 0.77 DRD2 (0.69) DRD2HRH1SLC18A3
SCHEMBL23664608 0.75 HRH3 (0.41) DRD2HRH1SLC18A3HRH3CYP2C9
SCHEMBL27296352 0.72 DRD2 (0.65) DRD2SLC18A3
SCHEMBL26748716 0.71 KDM4E (0.41) —
SCHEMBL24654217 0.70 LTA4H (0.38) HRH3CYP2C9
SCHEMBL25654120 0.69 TLR9 (0.48) DRD2HRH1TLR9TLR8TLR7
SCHEMBL18591747 0.69 DRD4 (0.41) DRD2HRH1HTR1AHTR2ADRD3

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-11584743-B2 Indole derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2023-02-21 — — 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 (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-11584743-B2 Indole derivatives as estrogen receptor degraders ESR1, GPER1, ESR2 DRD2 580/4885HRH1 573/4885TLR9 1537/4885

“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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