SCHEMBL755955

SCHEMBL755955

CCOC(=O)c1cnc(N2CCC(CNC(C)/C=C/c3ccccc3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.60
HDAC6 Q9UBN7 16/20 0.60
HDAC3 O15379 15/20 0.60
HDAC2 Q92769 15/20 0.60
HDAC8 Q9BY41 15/20 0.60
HDAC4 P56524 14/20 0.60
HDAC7 Q8WUI4 14/20 0.60
HDAC10 Q969S8 14/20 0.60
HDAC11 Q96DB2 14/20 0.60
HDAC9 Q9UKV0 14/20 0.60
HDAC5 Q9UQL6 14/20 0.60
ACACB O00763 1/20 0.42
OGA O60502 1/20 0.42
NCOR2 Q9Y618 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
KDM1A O60341 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL753775 0.90 HDAC3 (0.76) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL754771 0.89 HDAC6 (0.66) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL754792 0.87 HDAC6 (0.78) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL754772 0.82 HDAC3 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13304528 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL753773 0.81 HDAC3 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL756327 0.80 HDAC3 (0.75) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12295642 0.80 HDAC3 (0.71) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13304553 0.80 OGA (0.46) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL9971074 0.79 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885710-B1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-08-19 EP disclosed
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-8377935-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 US disclosed
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-21 US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-8138198-B2 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE (FR) 2012-03-20 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 US disclosed
US-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase ANGIBAUD PATRICK RENE 2009-09-03 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-20090221580-A1 Substituted aminopropenyl piperidine or morpholine derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC6 10/4885HDAC3 3/4885
US-20120157456-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC6 10/4885HDAC3 3/4885

“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.