SCHEMBL1308937

SCHEMBL1308937

CN1CCC(CN2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 3/20 0.54
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 1/20 0.47
DRD2 P14416 4/20 0.45
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
BDKRB1 P46663 1/20 0.38
CACNA1H O95180 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL24307350 0.87 CACNA2D1 (0.51) MEN1ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL5445038 0.84 ALDH1A1 (0.59) MEN1ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL8144341 0.82 CACNA2D1 (0.53) ALDH1A1SIGMAR1CACNA2D1CACNA1BCACNB1
SCHEMBL27432720 0.80 CACNA2D1 (0.48) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27308696 0.79 CACNA2D1 (0.47) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL22859758 0.79 ALDH1A1 (0.64) MEN1ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL25571572 0.79 CACNA2D1 (0.55) MEN1ALDH1A1KMT2ASIGMAR1CACNA2D1
SCHEMBL23173625 0.77 CACNA2D1 (0.47) SIGMAR1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL22859865 0.76 MEN1 (0.67) MEN1ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL15841183 0.76 ALDH1A1 (0.67) MEN1ALDH1A1TSHRKMT2ASIGMAR1

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 MEN1 323/4885ALDH1A1 2589/4885TSHR 2154/4885

“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.