SCHEMBL27031985

SCHEMBL27031985

C[C@H](CCBr)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
RCE1 Q9Y256 1/20 0.38
AGXT P21549 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 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
SCHEMBL4722884 1.00 TSHR (0.41) TSHRTDP1IDO1MAPTSLC1A3
SCHEMBL1014269 0.89 TSHR (0.39) TSHRTDP1IDO1MAPTSLC1A3
SCHEMBL28317715 0.84 TSHR (0.36) TSHRTDP1IDO1MAPTSLC1A3
SCHEMBL1942288 0.84 TSHR (0.44) TSHRTDP1IDO1MAPTSLC1A3
SCHEMBL7850044 0.82 TSHR (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL6800327 0.82 ALDH1A1 (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL10245222 0.82 TSHR (0.43) TSHRIDO1MAPTSLC1A3SLC1A2
SCHEMBL14118736 0.82 BCHE (0.46) TSHRMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1997775 0.81 TDP1 (0.47) TSHRTDP1IDO1ALDH1A1TRPA1
SCHEMBL23647056 0.81 IDO1 (0.43) TSHRIDO1MAPTSLC1A3SLC1A2

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 TSHR 3780/4885TDP1 740/4885IDO1 4094/4885

“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.