SCHEMBL30861007

SCHEMBL30861007

Cc1nn(C2CCCCO2)c2cccc(NC(=O)OC(C)(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
BRD4 O60885 3/20 0.36
RORC P51449 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
METAP1 P53582 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NR3C1 P04150 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
ACVR1 Q04771 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL27227929 0.87 RXRA (0.38) NR3C1DGAT2ACVR1GAAALDH1A1
SCHEMBL31093802 0.84 NR3C1 (0.37) BRD9BRD4RORCNR3C1DGAT2
SCHEMBL31093709 0.81 NR3C1 (0.33) BRD4RORCNR3C1DGAT2ATR
SCHEMBL15208344 0.78 HTR2C (0.43) DGAT2GAAATR
SCHEMBL30950290 0.76 CYP4F2 (0.41) HCRTR1HCRTR2DGAT2ACVR1GAA
Ammonia Solution, Strong SCHEMBL28811804 0.75 GAA (0.42) DGAT2GAAALDH1A1LMNAATR
SCHEMBL25420259 0.75 ATR (0.35) BRD9RORCDGAT2ATR
SCHEMBL29361346 0.75 ATR (0.35) BRD9RORCDGAT2ATR
SCHEMBL29950914 0.74 GAA (0.40) HCRTR1HCRTR2DGAT2ACVR1GAA
SCHEMBL574922 0.74 CYP4F2 (0.43) HCRTR1HCRTR2ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 BRD9 1518/4885OPRM1 3255/4885OPRD1 3124/4885

“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.