SCHEMBL16699241

SCHEMBL16699241

Cn1ccc(N2CCCC2=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CRHR1 P34998 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 1/20 0.38
PDE10A Q9Y233 2/20 0.38
KEAP1 Q14145 1/20 0.37
JMJD6 Q6NYC1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL25043950 0.78 SLC6A2 (0.37) L3MBTL1DDB1CRBNALDH1A1KEAP1
SCHEMBL19357324 0.76 DDB1 (0.38) DDB1CRBNKEAP1JMJD6
SCHEMBL16699290 0.74 CRHR1 (0.40) DDB1CRBNALDH1A1CRHR1PDE10A
SCHEMBL22623648 0.73 CRBN (0.55) DDB1CRBNALDH1A1HPGD
SCHEMBL15219419 0.72 CCNC (0.41) CCNCCDK8DDB1CRBNCRHR1
SCHEMBL19357345 0.72 JMJD6 (0.38) DDB1CRBNALDH1A1BRD4KEAP1
SCHEMBL31388857 0.71 DDB1 (0.39) DDB1CRBNALDH1A1KEAP1JMJD6
SCHEMBL16699182 0.71 CRHR1 (0.40) CCNCCDK8DDB1CRBNCRHR1
SCHEMBL10274571 0.71 PKM (0.46) L3MBTL1BRD4BRD2HSD17B10PDE10A
SCHEMBL20153301 0.71 RECQL (0.60) L3MBTL1ALDH1A1CRHR1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CCNC 1871/4885CDK8 592/4885L3MBTL1 1812/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CCNC 1871/4885CDK8 592/4885L3MBTL1 1812/4885

“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.