SCHEMBL1890136

SCHEMBL1890136

Cn1cc(C2CCNC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.50
SLC6A4 P31645 1/20 0.49
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
APP P05067 1/20 0.46
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43

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
SCHEMBL1893232 0.91 HTR6 (0.60) HTR6SLC6A4LMNAKMT2AUSP2
SCHEMBL5937271 0.91 HTR6 (0.57) HTR6SLC6A4LMNAKMT2AAPP
Hydrochloric Acid SCHEMBL5705102 0.89 SLC6A4 (0.57) HTR6SLC6A4LMNAKMT2AAPP
Hydrochloric Acid SCHEMBL30611185 0.89 SLC6A4 (0.57) HTR6SLC6A4LMNAKMT2AAPP
SCHEMBL17067795 0.82 ALDH1A1 (0.51) SLC6A4LMNAKMT2AUSP2ALDH1A1
SCHEMBL28127883 0.79 ALDH1A1 (0.49) SLC6A4LMNAKMT2AUSP2ALDH1A1
SCHEMBL28779618 0.78 RAB9A (0.48) SLC6A4LMNAKMT2AUSP2ALDH1A1
SCHEMBL8229224 0.75 SLC6A4 (0.52) HTR6SLC6A4APPPRKCGPRKCB
SCHEMBL8696576 0.75 APP (0.39) HTR6SLC6A4APP
SCHEMBL12954683 0.75 HTR6 (0.50) 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 668/4885SLC6A4 3609/4885LMNA 1248/4885
US-20110118291-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HTR6 668/4885SLC6A4 3662/4885LMNA 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.