SCHEMBL7909541

SCHEMBL7909541

CC(C)C1CCCC(C)(O)C1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21961600 1.00 TRPA1 (0.42) TRPA1L3MBTL1
SCHEMBL21961177 1.00 TRPA1 (0.42) TRPA1L3MBTL1
SCHEMBL6757572 0.86 TRPA1 (0.32) TRPA1
SCHEMBL6757997 0.86 TRPA1 (0.32) TRPA1
SCHEMBL6757987 0.86 TRPA1 (0.32) TRPA1
SCHEMBL24618836 0.86 TRPA1 (0.32) TRPA1
SCHEMBL6757976 0.86 TRPA1 (0.32) TRPA1
SCHEMBL6758030 0.86 TRPA1 (0.32) TRPA1
SCHEMBL22072546 0.83 TRPA1 (0.40) TRPA1L3MBTL1
SCHEMBL18502163 0.83 TRPA1 (0.34) TRPA1L3MBTL1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
WO-2021209055-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-10-21 WO disclosed
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-7700256-B2 Phenolic/alicyclic copolymers and photoresists ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2010-04-20 US disclosed
US-7700256-B2 Phenolic/alicyclic copolymers and photoresists ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2010-04-20 US disclosed
US-20080220597-A1 Photoresists and methods for use thereof ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-09-11 US disclosed
US-20080220597-A1 Photoresists and methods for use thereof ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-09-11 US disclosed
US-7297616-B2 Methods, photoresists and substrates for ion-implant lithography ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2007-11-20 US disclosed
US-7297616-B2 Methods, photoresists and substrates for ion-implant lithography ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2007-11-20 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 (9 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-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A TRPA1 2650/4885L3MBTL1 4530/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A TRPA1 2650/4885L3MBTL1 4530/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK TRPA1 4872/4885L3MBTL1 3154/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A TRPA1 3375/4885L3MBTL1 4488/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A TRPA1 4339/4885L3MBTL1 3929/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK TRPA1 4872/4885L3MBTL1 3154/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D TRPA1 4636/4885L3MBTL1 3921/4885
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TRPA1 4793/4885L3MBTL1 914/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK TRPA1 4872/4885L3MBTL1 3154/4885

“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.