SCHEMBL28853

SCHEMBL28853

c1[nH]nnc1CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 9/20 0.38
CYP11B2 P19099 1/20 0.37
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
GSK3B P49841 1/20 0.35
DAO P14920 1/20 0.35
VCP P55072 1/20 0.34
PNP P00491 1/20 0.33

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
SCHEMBL2877088 0.98 HRH4 (0.38) HRH4HTR3AHRH3CYP11B2JAK2
SCHEMBL9628789 0.90
SCHEMBL10601071 0.73 CYP2D6 (0.38) HRH4HRH3
SCHEMBL29661974 0.73 SLC6A2 (0.39) HRH4HRH3
SCHEMBL9201396 0.72
SCHEMBL623468 0.71
SCHEMBL9769163 0.71 DAO (0.33) HRH4HRH3DAO
SCHEMBL10602478 0.70 HRH3 (0.46) HRH4HRH3GSK3B
SCHEMBL6449281 0.69 HRH4 (0.44) HRH4HTR3AHRH3CYP11B2DAO
SCHEMBL18586512 0.68 NPC1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HRH4 287/4885HTR3A 1550/4885HRH3 270/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HRH4 251/4885HTR3A 1382/4885HRH3 252/4885

“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.