SCHEMBL16699631

SCHEMBL16699631

O=C1CC(COCc2ccccc2)CN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
SYK P43405 2/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BUB1 O43683 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
TSHR P16473 1/20 0.42
MAOB P27338 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNA4 P43681 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL1672146 0.85 LMNA (0.46) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL25421003 0.84 LMNA (0.57) LMNABCHEACHEBUB1CTSL
SCHEMBL1269308 0.78 GBA1 (0.47) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL22201217 0.78 GBA1 (0.47) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL337537 0.78 BUB1 (0.51) LMNABCHEACHEBUB1CTSL
SCHEMBL1268393 0.78 SYK (0.51) SYKMAOB
SCHEMBL14993885 0.76 TSHR (0.52) LMNABCHEACHECTSLCTSB
SCHEMBL19261314 0.76 BUB1 (0.49) LMNABCHEACHEBUB1CTSL
SCHEMBL1269213 0.76 MAPK1 (0.44) CTSLCTSBCTSKMAOBMAPK1
Hydantoin SCHEMBL15004947 0.75 LMNA (0.45) LMNABCHEACHEBUB1CTSL

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 9 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
CN-105899505-B Pyrazoles for the treatment of autoimmune disorders 武田药品工业株式会社 2018-08-28 CN 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
CN-105899505-A Pyrazoles for the treatment of autoimmune disorders 武田药品工业株式会社 2016-08-24 CN 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 LMNA 2276/4885PDE4A 704/4885PDE4B 692/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 LMNA 2276/4885PDE4A 704/4885PDE4B 692/4885

“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.