SCHEMBL4558689

SCHEMBL4558689

NC(=O)C1(c2ccccc2)CC1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.50
SLC6A2 P23975 15/20 0.46
SLC6A3 Q01959 7/20 0.45
CYP2D6 P10635 1/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
ADAM17 P78536 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL4560520 0.85 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL4558511 0.82 MEN1 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL12459423 0.81 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL2475580 0.81 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL3422142 0.81 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL2722771 0.80 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL28239851 0.80 SLC1A2 (0.41) SLC6A4SLC6A2SLC6A3KDM4EMAPK1
SCHEMBL140633 0.76 SLC6A3 (0.68) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL12702717 0.76 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C
SCHEMBL8572147 0.72 MAOB (0.49) SLC6A4SLC6A2SLC6A3CYP2D6HTR2C

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 SLC6A4 2834/4885SLC6A2 2953/4885SLC6A3 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.