SCHEMBL30685013

SCHEMBL30685013

COc1ccc2c(c1)CN(C(=O)CBr)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
RYR2 Q92736 6/20 0.50
ROCK1 Q13464 2/20 0.48
NAMPT P43490 4/20 0.48
ABHD6 Q9BV23 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
HSP90AA1 P07900 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43

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
SCHEMBL15989340 0.86 ESR1 (0.53) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL31463192 0.82 RYR2 (0.57) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL15880544 0.81 ESR1 (0.57) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL30677763 0.81 ESR1 (0.57) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL14590586 0.81 ESR1 (0.57) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL6234508 0.80 ESR1 (0.51) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL30142489 0.80 RYR2 (0.62) ESR1ESR2RYR2ROCK1NAMPT
SCHEMBL30685160 0.80 DPP8 (0.52) NAMPTHSP90AA1TAS1R3TAS1R1TAS1R2
SCHEMBL27356900 0.80 DPP8 (0.52) NAMPTHSP90AA1TAS1R3TAS1R1TAS1R2
SCHEMBL31463281 0.79 RYR2 (0.51) ESR1ESR2RYR2ROCK1NAMPT

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-20250353833-A1 DPP9 BINDING COMPOUNDS UNIV ANTWERPEN (BE) 2025-11-20 US disclosed
WO-2023233024-A1 DPP9 BINDING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 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-20250353833-A1 DPP9 BINDING COMPOUNDS DPP9, DPP7, DPP3 ESR1 2582/4885ESR2 2371/4885RYR2 4545/4885

“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.