SCHEMBL16674334

SCHEMBL16674334

CCCn1cc(CNC(=O)C(c2ccccc2)(c2ccccc2)C(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.40
GBA1 P04062 2/20 0.39
ANPEP P15144 2/20 0.39

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
SCHEMBL23945848 0.78 GBA1 (0.44) GLSGBA1
SCHEMBL16674423 0.76 GBA1 (0.45) GBA1ANPEP
SCHEMBL22861720 0.75 GBA1 (0.44) GBA1ANPEP
SCHEMBL16674336 0.73 CYP1A2 (0.43)
SCHEMBL21992355 0.69 MAPT (0.39) GLSGBA1
SCHEMBL17704734 0.69 LMNA (0.38)
SCHEMBL19535087 0.68 ALDH1A1 (0.56)
SCHEMBL23696408 0.68 ADRB2 (0.40) GLSGBA1
SCHEMBL24812463 0.67 GBA1 (0.53) GLSGBA1
SCHEMBL18623460 0.67 L3MBTL1 (0.44) GBA1

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-9730976-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2017-08-15 US disclosed
US-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BIONTECH AG (DE) 2016-11-03 US disclosed
US-9321808-B2 Homo- and heterodimeric SMAC mimetic compounds as apoptosis inducers BIONTECH AG (DE) 2016-04-26 US disclosed
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-04-30 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 (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-20160317605-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 GLS 2643/4885GBA1 4164/4885ANPEP 3087/4885
US-20150119342-A1 New Homo- and Heterodimeric SMAC Mimetic Compounds as Apoptosis Inducers BID, BIRC2, API5 GLS 2643/4885GBA1 4164/4885ANPEP 3087/4885

“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.