SCHEMBL92825

SCHEMBL92825

CCC(C)C(=O)NS(=O)(=O)N(C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
EPHX2 P34913 2/20 0.30

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
SCHEMBL85557 0.83 NPSR1 (0.35) ALDH1A1
SCHEMBL13768117 0.78 USP2 (0.33) MEN1KMT2AGAA
SCHEMBL2759554 0.73 L3MBTL1 (0.38) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL27270045 0.73 NR1H4 (0.39) CHRNB4CHRNA3CA1CA2CA7
SCHEMBL27261623 0.73 NR1H4 (0.39) CHRNB4CHRNA3CA1CA2CA7
SCHEMBL27303115 0.73 NR1H4 (0.39) CHRNB4CHRNA3CA1CA2CA7
SCHEMBL13764332 0.69 GAA (0.31) ALDH1A1GAA
SCHEMBL27261487 0.69 CXCR2 (0.42) CHRNB4CHRNA3CA1CA2CA7
SCHEMBL12430263 0.69 CXCR2 (0.42) CHRNB4CHRNA3CA1CA2CA7
SCHEMBL27261491 0.69 CXCR2 (0.42) CHRNB4CHRNA3CA1CA2CA7

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-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 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-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 CHRNB4 727/4885CHRNA3 162/4885CA1 1782/4885

“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.