SCHEMBL4533155

SCHEMBL4533155

COC(=O)C1CCN(c2ncccc2N)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.54
KDM4E B2RXH2 2/20 0.52
KCNMA1 Q12791 1/20 0.51
RECQL P46063 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NEK2 P51955 2/20 0.47

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
SCHEMBL3435703 0.86 MAPT (0.57) MALT1KDM4ELMNAKMT2AMEN1
SCHEMBL2425939 0.85 MALT1 (0.64) MALT1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL14334510 0.84 MALT1 (0.60) MALT1KDM4ERECQLKMT2ANEK2
SCHEMBL4876457 0.84 MALT1 (0.60) MALT1KDM4EKCNMA1RECQLKMT2A
SCHEMBL2080112 0.83 KDM4E (0.67) MALT1KDM4ERECQLLMNAKMT2A
SCHEMBL4524152 0.83 NEK2 (0.67) MALT1KDM4ERECQLKMT2ANEK2
SCHEMBL14335272 0.83 MALT1 (0.61) MALT1KDM4ERECQLKMT2ANEK2
SCHEMBL4697198 0.82 HRH3 (0.53) MALT1KDM4ERECQLKMT2A
SCHEMBL14334180 0.82 MALT1 (0.52) MALT1KDM4ERECQLKMT2ANEK2
SCHEMBL4103009 0.80 MAPT (0.68) MALT1LMNASMN1; SMN2

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
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
US-7501440-B2 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-10 US disclosed
US-20040266768-A1 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-30 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 (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-20040266768-A1 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use SLC5A2, HPD, DPP4 MALT1 4475/4885KDM4E 1444/4885KCNMA1 1511/4885

“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.