SCHEMBL420946

SCHEMBL420946

CC(C)C(=O)C1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
PRCP P42785 1/20 0.37
DPP4 P27487 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
SCN4A P35499 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
FAP Q12884 1/20 0.34

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
SCHEMBL26780565 1.00 FDPS (0.38) FDPSNOS2NOS3NOS1PRCP
SCHEMBL420953 1.00 FDPS (0.38) FDPSNOS2NOS3NOS1PRCP
SCHEMBL800667 0.94 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL14443285 0.94 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL801077 0.94 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL23720635 0.87
SCHEMBL421836 0.87
SCHEMBL22436137 0.87
SCHEMBL24851680 0.84 FDPS (0.36) FDPSNOS2NOS3NOS1PRCP
Trifluoroacetic Acid SCHEMBL5411607 0.82 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES MIHKAL GMBH (CH) 2023-10-12 US disclosed
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES MIHKAL GMBH (CH) 2023-10-12 US disclosed
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-26 US disclosed
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-05 US disclosed
US-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
US-20200323889-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-10-15 US disclosed
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7329755-B2 especially naphthalene sulfonamides, used for treating asthma MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 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 (13 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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 FDPS 2018/4885NOS2 1771/4885NOS3 2461/4885
US-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 FDPS 2031/4885NOS2 3629/4885NOS3 3425/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 FDPS 2708/4885NOS2 2820/4885NOS3 2401/4885
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES HTR2A, HTR2C, HTR1D FDPS 4715/4885NOS2 1426/4885NOS3 2871/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B FDPS 1633/4885NOS2 3606/4885NOS3 4092/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B FDPS 1633/4885NOS2 3606/4885NOS3 4092/4885
US-20200323889-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 FDPS 2857/4885NOS2 4653/4885NOS3 4570/4885
US-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC FDPS 1007/4885NOS2 4249/4885NOS3 4099/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 FDPS 2031/4885NOS2 3629/4885NOS3 3425/4885
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B FDPS 1633/4885NOS2 3606/4885NOS3 4092/4885
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR2C, HTR3A FDPS 2375/4885NOS2 2186/4885NOS3 1774/4885
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR1A, HTR2C FDPS 2429/4885NOS2 3010/4885NOS3 2700/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 FDPS 2031/4885NOS2 3629/4885NOS3 3425/4885

“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.