SCHEMBL17534232

SCHEMBL17534232

Oc1cccc(OCC2CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.66
CHRNA3 P32297 4/20 0.66
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
APP P05067 1/20 0.49
KDM1A O60341 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CNR2 P34972 1/20 0.47
CNR1 P21554 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL16902845 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL29639202 1.00 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL22816951 0.93 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL27996245 0.91 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL3098610 0.89 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4APP
SCHEMBL21944935 0.88 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL21944829 0.88 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL3103428 0.87 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL13096985 0.86 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4TLR4
SCHEMBL20744518 0.82 GRIN2D (0.55) CHRNB4CHRNA3CHRNB2CHRNA4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436978-B Antifungal compound and application thereof 中国人民解放军海军军医大学 2024-06-18 CN disclosed
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
CN-114436978-A Antifungal compound and application 中国人民解放军海军军医大学 2022-05-06 CN disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
CN-107207444-B Bicyclic compounds 武田药品工业株式会社 2020-07-24 CN disclosed
EP-3225618-B1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-06 EP disclosed
US-10301292-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-28 US disclosed
US-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 EP disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 EP disclosed
US-20180002322-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-04 US disclosed
EP-3225618-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-10-04 EP disclosed
CN-107207444-A Bicyclic compound 武田药品工业株式会社 2017-09-26 CN disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
WO-2016033416-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 WO disclosed
WO-2016033416-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 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 (7 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-20180002322-A1 BICYCLIC COMPOUND ACACA, ACACB, ACAT1 CHRNB4 4352/4885CHRNA3 3516/4885CHRNB2 4246/4885
US-10301292-B2 Bicyclic compound ACACA, ACACB, ACAT1 CHRNB4 4352/4885CHRNA3 3516/4885CHRNB2 4246/4885
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT CHRNB4 3584/4885CHRNA3 3597/4885CHRNB2 3734/4885
US-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 CHRNB4 4874/4885CHRNA3 4830/4885CHRNB2 4877/4885
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BRDT, BRPF3, BRWD1 CHRNB4 2785/4885CHRNA3 2525/4885CHRNB2 2300/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 CHRNB4 4874/4885CHRNA3 4830/4885CHRNB2 4877/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT CHRNB4 3584/4885CHRNA3 3597/4885CHRNB2 3734/4885

“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.