SCHEMBL379552

SCHEMBL379552

NCC1CCN(c2ncc(C(=O)O)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.43
CYP2C19 P33261 1/20 0.43
AKT2 P31751 2/20 0.42
HDAC6 Q9UBN7 6/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM1A O60341 5/20 0.40
OGA O60502 1/20 0.40
CHRM4 P08173 1/20 0.40
AOC3 Q16853 2/20 0.39
DKK1 O94907 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
SCHEMBL8208254 0.86 POLB (0.58) POLBKDM4ECYP2C19HDAC6HDAC3
SCHEMBL15341332 0.85 POLB (0.56) POLBKDM4ECYP2C19HDAC6HDAC3
SCHEMBL20046278 0.84 POLB (0.55) POLBKDM4ECYP2C19HDAC6HDAC3
SCHEMBL9883418 0.83 OGA (0.45) KDM4EAKT2HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL21615911 0.82 OGA (0.44) KDM4EAKT2HDAC6HDAC3HDAC4
SCHEMBL25141688 0.81 POLB (0.52) POLBKDM4ECYP2C19HDAC6HDAC3
SCHEMBL649475 0.81 OGA (0.47) POLBKDM4EHDAC6HDAC1KDM1A
SCHEMBL20046345 0.81 POLB (0.51) POLBKDM4ECYP2C19HDAC6HDAC3
SCHEMBL25141729 0.81 POLB (0.51) POLBKDM4ECYP2C19HDAC6HDAC3
SCHEMBL1270475 0.80 POLB (0.61) POLBKDM4ECYP2C19KDM1AOGA

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 US disclosed
CN-102341108-B PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY CURIS INC 2015-05-27 CN disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 US disclosed
EP-1981875-B1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
US-20130324568-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2013-12-05 US disclosed
US-8592441-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-26 US disclosed
US-8524728-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-03 US disclosed
CN-102970868-A Treatment of cancers having K-RAS mutations CURIS INC 2013-03-13 CN disclosed
EP-1981871-A1 HETEROCYCLYLALKYL DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE Janssen Pharmaceutica, N.V. (BE) 2008-10-22 EP disclosed
EP-1981875-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Janssen Pharmaceutica, N.V. (BE) 2008-10-22 EP disclosed
EP-1979328-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Janssen Pharmaceutica, N.V. (BE) 2008-10-15 EP disclosed
EP-1899325-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2007082880-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
WO-2007082882-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
WO-2007082873-A1 HETEROCYCLYLALKYL DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
EP-1781639-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006136553-A1 IMIDAZOLINONE AND HYDANTOINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
WO-2006010750-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-02 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 (3 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-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 POLB 619/4885KDM4E 82/4885CYP2C19 2711/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 POLB 729/4885KDM4E 85/4885CYP2C19 2782/4885
US-20130324568-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 POLB 729/4885KDM4E 85/4885CYP2C19 2782/4885

“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.