SCHEMBL26972452

SCHEMBL26972452

CC(C)(C)OCCCN1CCN(CCCOC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
MAOB P27338 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL10192131 0.94 HRH3 (0.42) HRH3
SCHEMBL26972454 0.93 HRH3 (0.41) HRH3MAOB
SCHEMBL21667849 0.91 HRH3 (0.45) HRH3MAOBCYP2D6
SCHEMBL823898 0.91 HRH3 (0.49) HRH3MAOBCYP2D6
SCHEMBL24621966 0.90 HRH3 (0.35) HRH3MAOBCYP3A4CYP2D6
SCHEMBL21472754 0.90 HRH3 (0.36) HRH3MAOB
SCHEMBL10025515 0.89 HRH3 (0.51) HRH3MAOB
SCHEMBL1106451 0.89 HRH3 (0.51) HRH3MAOB
SCHEMBL22560529 0.88 ALDH1A1 (0.38) HRH3
SCHEMBL20314590 0.88 HRH3 (0.35) HRH3MAOB

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 2096/4885MAOB 1845/4885CYP3A4 4784/4885

“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.