SCHEMBL13097087

SCHEMBL13097087

CC(C)(C)OC(=O)N1CCC(COc2cccc(O)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
GPR119 Q8TDV5 10/20 0.51
TGFBR1 P36897 1/20 0.50
CHEK2 O96017 1/20 0.50
CSF1R P07333 1/20 0.49

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
SCHEMBL26668458 0.94 SLC2A1 (0.59) SLC2A1KDM4EPKMGPR119TGFBR1
SCHEMBL30876487 0.93 SLC2A1 (0.53) SLC2A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL22406147 0.93 SLC2A1 (0.53) SLC2A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL30876501 0.93 SLC2A1 (0.53) SLC2A1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL791915 0.89 SLC2A1 (0.63) SLC2A1CHRNB4CHRNA3KDM4EPKM
SCHEMBL13160667 0.88 SLC2A1 (0.55) SLC2A1KDM4EPKMGPR119TGFBR1
SCHEMBL29576543 0.88 SLC2A1 (0.55) SLC2A1KDM4EPKMGPR119CHEK2
SCHEMBL22265848 0.88 SLC2A1 (0.55) SLC2A1KDM4EPKMGPR119CHEK2
SCHEMBL864389 0.88 SLC2A1 (0.55) SLC2A1KDM4EPKMGPR119CHEK2
SCHEMBL13096956 0.88 YAP1 (0.60) SLC2A1KDM4EPKMGPR119TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668877-B1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2024-05-01 EP disclosed
CN-109641918-B Imidazoles as inhibitors of histone demethylases 欧洲肿瘤研究所有限责任公司 2021-12-21 CN disclosed
US-10980777-B2 Indole derivatives as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-04-20 US disclosed
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-17 US disclosed
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2019-01-01 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 US disclosed
US-9416106-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2016-08-16 US disclosed
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2015-12-24 US disclosed
US-9120750-B2 2-Aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2015-09-01 US disclosed
WO-2014138460-A1 2-AMINOPYRIDINE-BASED SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2014-09-12 WO disclosed
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-09-11 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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 (8 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-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 SLC2A1 2003/4885CHRNB4 23/4885CHRNA3 56/4885
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 SLC2A1 2003/4885CHRNB4 23/4885CHRNA3 56/4885
US-10980777-B2 Indole derivatives as histone demethylase inhibitors KDM1B, KDM1A, INMT SLC2A1 2990/4885CHRNB4 1472/4885CHRNA3 699/4885
US-20200289463-A1 INDOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, INMT SLC2A1 2990/4885CHRNB4 1472/4885CHRNA3 699/4885
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 SLC2A1 2003/4885CHRNB4 23/4885CHRNA3 56/4885
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 SLC2A1 2003/4885CHRNB4 23/4885CHRNA3 56/4885
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 SLC2A1 2003/4885CHRNB4 23/4885CHRNA3 56/4885
US-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK SLC2A1 385/4885CHRNB4 2379/4885CHRNA3 1986/4885

“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.