SCHEMBL3296587

SCHEMBL3296587

CC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.62
▸ USP30 Q70CQ3 3/20 0.47
▸ SPR P35270 5/20 0.42
▸ KDM4D Q6B0I6 1/20 0.41
▸ MCHR1 Q99705 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ VNN1 O95497 2/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37

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
SCHEMBL27866771 0.91 HSD11B1 (0.53) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL26666679 0.91 HSD11B1 (0.54) HSD11B1USP30SPRKDM4D
SCHEMBL5242729 0.88 HSD11B1 (0.62) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL21285788 0.88 HSD11B1 (0.69) HSD11B1USP30SPRDDB1CRBN
SCHEMBL13738053 0.88 HSD11B1 (0.62) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL18711272 0.87 HSD11B1 (0.50) HSD11B1USP30SPRKDM4DDDB1
SCHEMBL10223184 0.87 HSD11B1 (0.60) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL18701755 0.87 HSD11B1 (0.60) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL15721134 0.85 HSD11B1 (0.59) HSD11B1USP30SPRKDM4DPDE10A
SCHEMBL15721133 0.85 HSD11B1 (0.59) HSD11B1USP30SPRKDM4DPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 — — EP disclosed
CN-109897038-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2022-04-05 — — CN disclosed
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 — — CN disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
CN-103282025-A Melt-extruded solid dispersions containing apoptosis-inducing agents ABBVIE INC 2013-09-04 — — CN disclosed
CN-102448959-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2012-05-09 — — CN disclosed
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 — — US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 — — US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 — — EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — 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 (3 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS HSD11B1 1280/4885USP30 3420/4885SPR 2296/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR HSD11B1 375/4885USP30 3314/4885SPR 1/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 HSD11B1 3077/4885USP30 579/4885SPR 3076/4885

“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.

Send feedback