SCHEMBL16699182

SCHEMBL16699182

Cn1ccc(N2CCOC2=O)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.40
IDH1 O75874 8/20 0.37
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
TYK2 P29597 1/20 0.34
CCR6 P51684 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TNKS O95271 1/20 0.33
PIK3CA P42336 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL16699290 0.72 CRHR1 (0.40) CRHR1IDH1DDB1CRBNNPC1
SCHEMBL20909898 0.72 RECQL (0.50) CRHR1IDH1TYK2TNKS
SCHEMBL2190750 0.72 TNKS (0.36) CRHR1IDH1CCR6TNKSPIK3CA
SCHEMBL16699241 0.71 CCNC (0.41) CRHR1CCNCCDK8DDB1CRBN
SCHEMBL15219419 0.71 CCNC (0.41) CRHR1CCNCCDK8DDB1CRBN
SCHEMBL25043950 0.70 SLC6A2 (0.37) DDB1CRBN
SCHEMBL9964663 0.69 DGAT1 (0.40) IDH1NPC1PKMRAB9A
SCHEMBL22623648 0.69 CRBN (0.55) DDB1CRBN
SCHEMBL16699036 0.69 DDB1 (0.36) IDH1DDB1CRBN
SCHEMBL16699143 0.69 GRM4 (0.40) DDB1CRBNRAB9A

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 CRHR1 3772/4885IDH1 1481/4885CCNC 1871/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CRHR1 3772/4885IDH1 1481/4885CCNC 1871/4885

“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.