SCHEMBL27032166

SCHEMBL27032166

Brc1cncc(CCOCCOCCOCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.46
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.40
NAAA Q02083 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 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
SCHEMBL29925954 1.00 TACR1 (0.46) TACR1SLC6A4KCNH2HRH4HRH3
SCHEMBL14909635 0.84 TACR1 (0.56) TACR1SLC6A4KCNH2HRH4HRH3
SCHEMBL27142871 0.84 TACR1 (0.38) TACR1SLC6A4KCNH2HRH4HRH3
SCHEMBL27032201 0.84 TACR1 (0.38) TACR1SLC6A4KCNH2HRH4HRH3
SCHEMBL29925491 0.84 TACR1 (0.38) TACR1SLC6A4KCNH2HRH4HRH3
SCHEMBL18479101 0.79 POLB (0.50) TACR1SLC6A4KCNH2SMN1; SMN2POLB
SCHEMBL5238199 0.78 MAOB (0.54) TSHRMAOB
SCHEMBL3686733 0.77 TSHR (0.52) TSHRNAAAPOLBMAOB
SCHEMBL16213210 0.75 HRH4 (0.47) HRH4HRH3TSHRNAAA
SCHEMBL25211991 0.73 TACR1 (0.43) TACR1SLC6A4KCNH2SMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS SERVIER LAB (FR) 2024-07-25 US disclosed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO 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-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PARK7, PINK1 TACR1 4667/4885SLC6A4 4058/4885KCNH2 2252/4885

“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.