SCHEMBL379430

SCHEMBL379430

NC(=O)c1cccc(N2CCNCC2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.51
HTR1A P08908 4/20 0.51
HTR7 P34969 4/20 0.51
HTR2A P28223 2/20 0.51
HTR5A P47898 2/20 0.51
NPC1 O15118 1/20 0.50
BACE1 P56817 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NCF1 P14598 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MTOR P42345 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44

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
Hydrochloric Acid SCHEMBL27966291 0.84 NPC1 (0.68) NPC1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL1450313 0.84 NPC1 (0.70) HTR6HTR1AHTR7HTR2AHTR5A
Hydrochloric Acid SCHEMBL27658727 0.82 NPC1 (0.68) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL18641220 0.81 HTR2A (0.48) HTR6HTR7HTR2ANPC1KDM4E
SCHEMBL28713189 0.80 NPC1 (0.51) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL28715613 0.78 NPC1 (0.50) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL21122344 0.78 ADRB1 (0.59) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL1742844 0.78 ADRB1 (0.59) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL20527676 0.77 HTR6 (0.40) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL9042452 0.77 HTR6 (0.40) HTR6HTR1AHTR7HTR2AHTR5A

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 85 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
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-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-07-16 US disclosed
US-9078896-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-14 US disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 US disclosed
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-05-15 US disclosed
EP-2723338-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF The Trustees of Stevens Institute of Technology (US) 2014-04-30 EP disclosed
EP-1981875-B1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
WO-2007082880-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed
CN-1993356-A Substituted propenyl piperazine derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2007-07-04 CN disclosed
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN-CILAG (BE) 2007-06-14 US 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-2007048767-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 WO disclosed
EP-1776358-A2 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 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-2006122926-A1 SUBSTITUTED AMINOPROPENYL PIPERIDINE OR MORPHOLINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-23 WO disclosed
WO-2006010749-A2 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-02 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 (5 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-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase HDAC1, HDAC11, HDAC3 HTR6 2367/4885HTR1A 1757/4885HTR7 2407/4885
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR6 801/4885HTR1A 578/4885HTR7 827/4885
US-20070135424-A1 SUBSTITUTED PROPENYL PIPERAZINE DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR6 3472/4885HTR1A 2533/4885HTR7 2488/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR6 964/4885HTR1A 688/4885HTR7 1062/4885
US-20150197497-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE ISOFORM 6 AND METHODS THEREOF HDAC6, HDAC5, HDAC1 HTR6 771/4885HTR1A 2750/4885HTR7 1068/4885

“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.