SCHEMBL12082

SCHEMBL12082

CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
RECQL P46063 1/20 0.53
EPHX1 P07099 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR119 Q8TDV5 6/20 0.49
NR1H2 P55055 1/20 0.49
FAAH O00519 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL7871661 0.98 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL17229380 0.94 HPGD (0.57) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL12136991 0.90 NR1H2 (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL8426435 0.90 NR1H2 (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL14514518 0.90 NR1H2 (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL23135748 0.89 GPR119 (0.50) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL415679 0.88 HPGD (0.59) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL792459 0.88 HPGD (0.54) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL26351282 0.88 GPR119 (0.53) HPGDKDM4EPKMRECQLEPHX1
SCHEMBL15085735 0.87 HPGD (0.57) HPGDKDM4EPKMRECQLEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 EP disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
WO-2023191951-A1 SMALL MOLECULE ALLOSTERIC MODULATORS OF THE SEROTONIN (5-HT) 5-HT2C AND 5-HT2A RECEPTORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-05 WO disclosed
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2023-10-05 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. 2007-01-25 US disclosed
WO-2004024060-A2 METALLOPROTEINASE INHIBITORS AND INTERMEDIATES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
WO-2004020415-A1 2,5-DIOXOIMIDAZOLIDIN-4-YL ACETAMIDES AND ANALOGUES AS INHIBITORS OF METALLOPROTEINASE MMP12. ASTRAZENECA AB (SE) 2004-03-11 WO disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 US disclosed
EP-0617968-B1 HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS MERCK & CO INC (US) 2003-01-08 EP disclosed
CN-1290251-A N-acyl cyclic amine derivatives BANYU PHARMA CO LTD (JP) 2001-04-04 CN disclosed
CN-1237170-A Novel tricyclic piperidinyl compounds useful as inhibitors of farnesyl protein transferase SCHERING CORP (US) 1999-12-01 CN 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-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 HPGD 4067/4885KDM4E 1083/4885PKM 2028/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT HPGD 283/4885KDM4E 2846/4885PKM 564/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HPGD 1357/4885KDM4E 1333/4885PKM 1731/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 HPGD 580/4885KDM4E 2336/4885PKM 1045/4885
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 HPGD 2067/4885KDM4E 473/4885PKM 3906/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 HPGD 1639/4885KDM4E 4092/4885PKM 2509/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 HPGD 3272/4885KDM4E 992/4885PKM 1683/4885
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers KCNN2, KCNN1, KCNN3 HPGD 778/4885KDM4E 4305/4885PKM 2487/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B HPGD 2234/4885KDM4E 4126/4885PKM 2036/4885

“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.