SCHEMBL4166916

SCHEMBL4166916

C1CCC2C[N]CCN2CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
L3MBTL3 Q96JM7 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL174054 0.98 HTR6 (0.42) HTR6L3MBTL3L3MBTL1PHGDHMGLL
SCHEMBL192997 0.91
SCHEMBL477046 0.91
SCHEMBL1831788 0.91
SCHEMBL2008594 0.89 L3MBTL3 (0.38) HTR6L3MBTL3L3MBTL1PHGDHMGLL
SCHEMBL1489616 0.86 L3MBTL3 (0.39) HTR6L3MBTL3L3MBTL1MBTD1
SCHEMBL3933942 0.86 L3MBTL1 (0.39) HTR6L3MBTL3L3MBTL1MBTD1
SCHEMBL1489973 0.86 L3MBTL3 (0.39) HTR6L3MBTL3L3MBTL1MBTD1
SCHEMBL1489870 0.86 L3MBTL3 (0.39) HTR6L3MBTL3L3MBTL1MBTD1
SCHEMBL667276 0.84 L3MBTL1 (0.40) HTR6L3MBTL3L3MBTL1MBTD1

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
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HTR6 912/4885L3MBTL3 4202/4885L3MBTL1 3739/4885

“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.