SCHEMBL4537372

SCHEMBL4537372

COC(=O)C(c1ccccc1)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.64
SLC6A2 P23975 4/20 0.64
SLC6A4 P31645 3/20 0.64
DHFR P00374 1/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 1/20 0.49
SMYD3 Q9H7B4 1/20 0.47

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
SCHEMBL29013542 0.91 SLC6A3 (0.58) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL28628509 0.89 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4245494 0.86 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4206472 0.86 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8193192 0.85 SLC6A2 (0.65) SLC6A3SLC6A2SLC6A4LMNATSHR
SCHEMBL4950911 0.84 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4678502 0.84 SLC6A3 (0.60) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL13476489 0.84 SLC6A3 (0.66) SLC6A3SLC6A2SLC6A4
SCHEMBL13114874 0.82 CACNA2D1 (0.50) SLC6A3SLC6A2SLC6A4LMNAKMT2A
SCHEMBL6528518 0.80 CACNA2D1 (0.48) SLC6A3SLC6A2SLC6A4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
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
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO 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 SLC6A3 3318/4885SLC6A2 2953/4885SLC6A4 2834/4885

“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.