SCHEMBL1308650

SCHEMBL1308650

CN(C)C1CCN(CC#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PGR P06401 1/20 0.32
NPY1R P25929 1/20 0.31
BCHE P06276 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15957075 0.80 ALDH1A1 (0.56) HRH3HRH2HRH1NOS3NOS1
SCHEMBL1307849 0.80 BCHE (0.33) NOS3NOS1NOS2JAK2JAK1
SCHEMBL2284333 0.79 BCHE (0.47) BCHE
SCHEMBL7282316 0.79 L3MBTL3 (0.38) HRH3HRH2HRH1L3MBTL3NPY1R
SCHEMBL4223192 0.78 BCHE (0.38) BCHE
SCHEMBL14979149 0.78 LMNA (0.34) HRH3HRH2HRH1L3MBTL3NPY1R
SCHEMBL1307015 0.77 DRD3 (0.46)
SCHEMBL665736 0.76 ACHE (0.43) HRH3HRH2HRH1ALDH1A1
SCHEMBL12376563 0.73 CHRM2 (0.41)
SCHEMBL12376552 0.73 HTT (0.33) L3MBTL3ALDH1A1

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-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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 (1 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 HRH3 1388/4885HRH2 2268/4885HRH1 1713/4885

“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.