SCHEMBL25489705

SCHEMBL25489705

C=C(OC(C)(C)C)N1CCC(N)c2ccc(Br)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
USP30 Q70CQ3 1/20 0.34
NR1H2 P55055 2/20 0.33
KIF11 P52732 1/20 0.33
ABHD6 Q9BV23 3/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ESR2 Q92731 1/20 0.32
NR1H3 Q13133 1/20 0.32
NAMPT P43490 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
NOTCH1 P46531 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL21902866 0.86 NR1H2 (0.48) KDM1AUSP30NR1H2ABHD6ESR2
SCHEMBL16794188 0.86 NR1H2 (0.48) KDM1AUSP30NR1H2ABHD6ESR2
SCHEMBL13190426 0.78 ABHD6 (0.51) NR1H2ABHD6ESR2DPP8DPP9
SCHEMBL20533478 0.76 KIF11 (0.40) KDM1AKIF11ABHD6NAMPTDPP8
SCHEMBL20533479 0.76 KIF11 (0.40) KDM1AKIF11ABHD6NAMPTDPP8
SCHEMBL16794499 0.70 NR1H2 (0.48) KDM1AUSP30NR1H2ABHD6FNTA
SCHEMBL20053977 0.68 KDM1A (0.35) KDM1AKIF11
SCHEMBL4718766 0.68 USP30 (0.42) USP30NR1H2FNTAFNTBESR2
SCHEMBL12279527 0.68 USP30 (0.47) USP30NR1H2KIF11ABHD6ESR2
SCHEMBL30970501 0.68 USP30 (0.47) USP30NR1H2KIF11ABHD6ESR2

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-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-05-11 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-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KDM1A 1524/4885USP30 2098/4885NR1H2 4173/4885

“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.