SCHEMBL562998

SCHEMBL562998

CN(C(=O)OC(C)(C)C)C1CCC(C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
GPR119 Q8TDV5 8/20 0.34
CTSS P25774 2/20 0.34
CTSD P07339 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ASGR1 P07306 1/20 0.33
CTSK P43235 4/20 0.33
KDM4D Q6B0I6 1/20 0.31
DPP4 P27487 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8022238 0.91 HSD11B1 (0.41) HSD11B1GPR119CTSSCTSDCTSL
SCHEMBL190837 0.86 HSD11B1 (0.47) HSD11B1GPR119ASGR1KDM4D
SCHEMBL24136606 0.84 HSD11B1 (0.40) HSD11B1ASGR1KDM4D
SCHEMBL18624578 0.84 HSD11B1 (0.40) HSD11B1ASGR1KDM4D
SCHEMBL22835947 0.83 HSD11B1 (0.36) HSD11B1CTSSCTSDCTSLCTSB
SCHEMBL28804053 0.81 HSD11B1 (0.44) HSD11B1ASGR1KDM4D
SCHEMBL28804055 0.81 HSD11B1 (0.44) HSD11B1ASGR1KDM4D
SCHEMBL228179 0.81 HSD11B1 (0.46) HSD11B1ASGR1KDM4DALDH1A1
SCHEMBL23696902 0.80 HSD11B1 (0.42) HSD11B1GPR119CTSSCTSDCTSL
SCHEMBL4797314 0.80 HSD11B1 (0.42) HSD11B1GPR119CTSSCTSDCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 EP disclosed
US-9855257-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-01-02 US disclosed
EP-2154970-B1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 US disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP disclosed
US-8642633-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-20130137733-A1 Di-Substituted Amides for Enhancing Glutamatergic Synaptic Responses CORTEX PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8404682-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2012-02-09 US disclosed
US-8013003-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20100120764-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2010-05-13 US disclosed
EP-2154970-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-02-24 EP disclosed
WO-2008143963-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-11-27 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 (5 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-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 HSD11B1 393/4885GPR119 607/4885CTSS 4105/4885
US-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN2A, GRIN2B, SLC18A2 HSD11B1 1958/4885GPR119 125/4885CTSS 3365/4885
US-20100120764-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES DRD2, DRD3, GAP43 HSD11B1 2056/4885GPR119 112/4885CTSS 738/4885
US-20130137733-A1 Di-Substituted Amides for Enhancing Glutamatergic Synaptic Responses DRD2, DRD3, GAP43 HSD11B1 2056/4885GPR119 112/4885CTSS 738/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 HSD11B1 584/4885GPR119 498/4885CTSS 3777/4885

“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.