SCHEMBL26740887

SCHEMBL26740887

CCCc1ccc2c(c1)c(C)nn2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.52
▸ ADORA2B P29275 3/20 0.52
▸ MCHR1 Q99705 1/20 0.41
▸ CACNA1H O95180 6/20 0.41
▸ LSS P48449 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ QPCT Q16769 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL12205419 0.86 ADORA2A (0.55) ADORA2AADORA2BMCHR1CACNA1HLSS
SCHEMBL26740897 0.85 ADORA2A (0.50) ADORA2AADORA2BMCHR1CACNA1HLSS
SCHEMBL21430515 0.82 MAPK8 (0.37) CNR1CNR2GRM4KDM4EALDH1A1
SCHEMBL24645236 0.81 ADORA2A (0.53) ADORA2AADORA2BMCHR1CACNA1HLSS
SCHEMBL21430514 0.81 ADORA2A (0.53) ADORA2AADORA2BMCHR1CACNA1HLSS
Hydrochloric Acid SCHEMBL21409153 0.80 ADORA2A (0.52) ADORA2AADORA2BMCHR1CACNA1HLSS
Hydrochloric Acid SCHEMBL29890861 0.80 ADORA2A (0.52) ADORA2AADORA2BMCHR1CACNA1HLSS
SCHEMBL20421231 0.76 KDM4E (0.62) ADORA2AADORA2BCACNA1HKDM4EALDH1A1
SCHEMBL29988608 0.76 KDM4E (0.62) ADORA2AADORA2BCACNA1HKDM4EALDH1A1
SCHEMBL12083709 0.76 KDM4E (0.56) CNR1CNR2KDM4EALDH1A1MAPT

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-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PRECISION MEDICINE (FR) 2023-11-09 — — 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-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, RIN1, GRK3 ADORA2A 1635/4885ADORA2B 1822/4885MCHR1 2745/4885

“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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