SCHEMBL23069031

SCHEMBL23069031

CC(C)(C)OC(=O)N1CC/C(=C/C(=O)OCc2ccccc2)C(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TACR1 P25103 1/20 0.42
HTT P42858 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
STS P08842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
BACE1 P56817 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL23069032 1.00 MEN1 (0.45) MEN1KMT2ATACR1HTTGPR119
SCHEMBL23068746 0.86 HCAR2 (0.43) MEN1KMT2APDK1PDK2PDK3
SCHEMBL23068748 0.86 HCAR2 (0.43) MEN1KMT2APDK1PDK2PDK3
SCHEMBL15227284 0.83 ADORA1 (0.41) MEN1KMT2A
SCHEMBL15227281 0.83 ADORA1 (0.41) MEN1KMT2A
SCHEMBL30663112 0.83 TACR1 (0.44) MEN1KMT2ATACR1GPR119STS
SCHEMBL19826246 0.80 MEN1 (0.46) MEN1KMT2AHTTGPR119STS
SCHEMBL18281013 0.80 ESR2 (0.37) STSKDM4E
SCHEMBL18281014 0.80 ESR2 (0.37) STSKDM4E
SCHEMBL18296909 0.80 ESR2 (0.37) STSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788043-B1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 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 (2 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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 MEN1 4861/4885KMT2A 3815/4885TACR1 48/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 MEN1 4861/4885KMT2A 3815/4885TACR1 48/4885

“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.