SCHEMBL4558688

SCHEMBL4558688

CC(c1ccccc1)C1CC1(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
MAOB P27338 1/20 0.41
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2C P28335 1/20 0.39
ALOX5 P09917 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
SCHEMBL4560519 0.85 OPRL1 (0.41) SLC6A2MAOBALOX5
SCHEMBL4558510 0.82 OPRL1 (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL3387663 0.81 ALOX5 (0.42) ALOX5
SCHEMBL8572147 0.75 MAOB (0.49) SLC6A2MAOBSLC6A3SLC6A4CYP2D6
SCHEMBL11489791 0.74 MAOB (0.47) SLC6A2MAOBSLC6A3SLC6A4CYP2D6
SCHEMBL17320338 0.71 CYP3A4 (0.43) CYP2D6
SCHEMBL2363241 0.70 MAOB (0.47) SLC6A2MAOBSLC6A3SLC6A4CYP2D6
SCHEMBL2722771 0.70 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4CYP2D6HTR2C
SCHEMBL4862036 0.70 KMT2A (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL6628664 0.69 CHRM1 (0.56) SLC6A2MAOBSLC6A3SLC6A4CYP2D6

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 SLC6A2 2953/4885MAOB 183/4885SLC6A3 3318/4885

“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.