SCHEMBL1777924

SCHEMBL1777924

COC(=O)C=Cc1ccc([C@@H]2CCCN2CCc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.49
KCNH2 Q12809 1/20 0.49
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
ABCB1 P08183 1/20 0.43
TRPV6 Q9H1D0 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
USP2 O75604 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1777921 1.00 HDAC1 (0.49) HDAC1KCNH2OPRM1OPRK1ABCB1
SCHEMBL3407719 1.00 HDAC1 (0.49) HDAC1KCNH2OPRM1OPRK1ABCB1
SCHEMBL1777919 1.00 HDAC1 (0.49) HDAC1KCNH2OPRM1OPRK1ABCB1
SCHEMBL8004533 0.91 HDAC1 (0.51) HDAC1KCNH2OPRM1OPRK1HRH3
SCHEMBL1780126 0.91 CA12 (0.51) HDAC1KCNH2OPRM1OPRK1HRH3
SCHEMBL1780125 0.91 CA12 (0.51) HDAC1KCNH2OPRM1OPRK1HRH3
SCHEMBL1780117 0.91 CA12 (0.51) HDAC1KCNH2OPRM1OPRK1HRH3
SCHEMBL1780092 0.90 HDAC1 (0.49) HDAC1KCNH2OPRM1OPRK1HRH3
SCHEMBL1780094 0.90 HDAC1 (0.49) HDAC1KCNH2OPRM1OPRK1HRH3
SCHEMBL3411220 0.90 HDAC1 (0.49) HDAC1KCNH2OPRM1OPRK1HRH3

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 HDAC1 1/4885KCNH2 2802/4885OPRM1 4144/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885OPRM1 4144/4885

“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.