SCHEMBL1780604

SCHEMBL1780604

COC(=O)/C=C/c1ccc([C@@H]2CCCN2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.52
OPRM1 P35372 2/20 0.52
HDAC1 Q13547 4/20 0.47
KCNH2 Q12809 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KDM1A O60341 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1780607 1.00 OPRK1 (0.52) OPRK1OPRM1HDAC1KCNH2BCHE
SCHEMBL1780606 1.00 OPRK1 (0.52) OPRK1OPRM1HDAC1KCNH2BCHE
SCHEMBL1780210 0.89 HDAC1 (0.54) OPRM1HDAC1KCNH2KDM1ANR1H4
SCHEMBL1780212 0.89 HDAC1 (0.54) OPRM1HDAC1KCNH2KDM1ANR1H4
SCHEMBL1780209 0.89 HDAC1 (0.54) OPRM1HDAC1KCNH2KDM1ANR1H4
SCHEMBL1781969 0.88 HDAC1 (0.53) HDAC1KCNH2KDM1ANR1H4ALDH1A1
SCHEMBL1781962 0.88 HDAC1 (0.53) HDAC1KCNH2KDM1ANR1H4ALDH1A1
SCHEMBL3411782 0.88 HDAC1 (0.53) HDAC1KCNH2KDM1ANR1H4ALDH1A1
SCHEMBL1781968 0.88 HDAC1 (0.53) HDAC1KCNH2KDM1ANR1H4ALDH1A1
SCHEMBL1779648 0.87 HDAC1 (0.58) OPRK1OPRM1HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 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 (2 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 OPRK1 3413/4885OPRM1 4144/4885HDAC1 1/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 OPRK1 3413/4885OPRM1 4144/4885HDAC1 1/4885

“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.