SCHEMBL26972346

SCHEMBL26972346

CC(C)COCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.49
▸ DRD2 P14416 3/20 0.43
▸ DRD1 P21728 3/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ DRD5 P21918 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL21421582 0.87 HRH3 (0.49) HRH3DRD2DRD1DRD3DRD5
SCHEMBL19959005 0.83 HRH3 (0.53) HRH3DRD2DRD1DRD3DRD5
SCHEMBL14349615 0.76 KDM4E (0.52) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL21933624 0.75 HRH3 (0.51) HRH3DRD2DRD1DRD3DRD5
SCHEMBL21421763 0.75 HRH3 (0.43) HRH3DRD2DRD1DRD3DRD5
SCHEMBL2733014 0.74 SMN1; SMN2 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21419372 0.74 HRH3 (0.53) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL11932478 0.73 DRD4 (0.53) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL21419341 0.73 KMT2A (0.49) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL27707250 0.73 SMN1; SMN2 (0.56) DRD2DRD1DRD3KDM4EALDH1A1

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-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 — — 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-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN HRH3 2096/4885DRD2 2944/4885DRD1 3150/4885

“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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