SCHEMBL1893232

SCHEMBL1893232

Cn1cc(C2CCCNC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.60
CAMK2D Q13557 1/20 0.49
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A4 P31645 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1890136 0.91 HTR6 (0.50) HTR6CAMK2DLMNAKMT2ASLC6A4
SCHEMBL28127883 0.83 ALDH1A1 (0.49) LMNAKMT2ASLC6A4USP2ALDH1A1
SCHEMBL5937271 0.82 HTR6 (0.57) HTR6CAMK2DLMNAKMT2ASLC6A4
SCHEMBL11223267 0.82 HTR6 (0.47) HTR6CAMK2DHTR2A
SCHEMBL28779618 0.82 RAB9A (0.48) LMNAKMT2ASLC6A4USP2ALDH1A1
Hydrochloric Acid SCHEMBL30611185 0.81 SLC6A4 (0.57) HTR6CAMK2DLMNAKMT2ASLC6A4
Hydrochloric Acid SCHEMBL5705102 0.81 SLC6A4 (0.57) HTR6CAMK2DLMNAKMT2ASLC6A4
Hydrochloric Acid SCHEMBL11228096 0.81 HTR6 (0.46) HTR6CAMK2DHTR2A
SCHEMBL17067795 0.80 ALDH1A1 (0.51) LMNAKMT2ASLC6A4HTR2AUSP2
SCHEMBL5251020 0.76 HTR6 (1.00) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981875-B1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
CN-101370803-B Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV 2012-12-12 CN disclosed
US-8163765-B2 Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 US disclosed
US-20110118291-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-19 US disclosed
US-7834025-B2 Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 US disclosed
CN-101370803-A Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 CN disclosed
US-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 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-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC3, HDAC2 HTR6 668/4885CAMK2D 560/4885LMNA 1248/4885
US-20110118291-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR6 668/4885CAMK2D 576/4885LMNA 1335/4885

“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.