SCHEMBL23928898

SCHEMBL23928898

O=C1CC2(CN(C(=O)O)C2)Oc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
ACACB O00763 6/20 0.49
ACACA Q13085 3/20 0.36
NPC1 O15118 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CACNA1C Q13936 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL14919198 0.88 EPHX2 (0.64) EPHX2ACACBACACAHDAC3HDAC4
SCHEMBL23928849 0.82 ACACB (0.46) EPHX2ACACBACACAHDAC3HDAC4
SCHEMBL23928896 0.78 SIGMAR1 (0.53) EPHX2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15469500 0.77 EPHX2 (0.52) EPHX2ACACBADRA1DADRA1AADRA1B
SCHEMBL21617954 0.76 ACACB (0.46) EPHX2ACACBNPC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL23928889 0.75 ACACB (0.45) EPHX2ACACBNPC1HDAC3HDAC4
SCHEMBL1115206 0.75 EPHX2 (0.50) EPHX2ACACBADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL30587434 0.75 ACACB (0.45) EPHX2ACACBNPC1HDAC3HDAC4
SCHEMBL3491735 0.74 EPHX2 (0.55) EPHX2ACACBACACA
SCHEMBL13339752 0.74 ACACB (0.49) EPHX2ACACBHDAC3HDAC4HDAC1

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-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 CN 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-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 EPHX2 1079/4885ACACB 3164/4885ACACA 2127/4885

“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.