SCHEMBL3403317

SCHEMBL3403317

CCC(=O)N1CC[C@@H](N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
CHRNB2 P17787 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
EPHX2 P34913 5/20 0.45
CHRNB4 P30926 2/20 0.44
CHRNA7 P36544 2/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 1/20 0.42
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL5744811 1.00 GNAI3 (0.49) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL15731364 1.00 GNAI3 (0.49) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL3402450 0.89 MEN1 (0.46) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL3402896 0.89 MEN1 (0.46) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL3399867 0.89 MEN1 (0.46) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL11717 0.88 GNAI3 (0.61) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL22474753 0.87 EPHX2 (0.45) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL13459961 0.85 GNAI3 (0.58) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL14275539 0.85 GNAI3 (0.58) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL3403409 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 US disclosed
CN-103282025-A Melt-extruded solid dispersions containing apoptosis-inducing agents ABBVIE INC 2013-09-04 CN disclosed
CN-103167867-A Solid dispersions containing an apoptosis-inducing agent ABBOTT LAB 2013-06-19 CN disclosed
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 CN disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
CN-102448959-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2012-05-09 CN disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (3 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-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX GNAI3 3792/4885GNAO1 1362/4885GNAI1 3585/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX GNAI3 3792/4885GNAO1 1362/4885GNAI1 3585/4885
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IKZF3, INTS9, CYP2C9 GNAI3 392/4885GNAO1 2249/4885GNAI1 441/4885

“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.