SCHEMBL801077

SCHEMBL801077

CC(C)C(=O)C1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
PRCP P42785 1/20 0.41
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
SCN4A P35499 1/20 0.39
FAP Q12884 1/20 0.39
GLI1 P08151 2/20 0.37
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL800667 1.00 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL14443285 1.00 NOS2 (0.43) NOS2NOS3NOS1PRCPDPP4
SCHEMBL26780565 0.94 FDPS (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL420953 0.94 FDPS (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL420946 0.94 FDPS (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL23720635 0.89
SCHEMBL421836 0.89
SCHEMBL22436137 0.89
Trifluoroacetic Acid SCHEMBL5411611 0.88 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
Trifluoroacetic Acid SCHEMBL5411607 0.88 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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
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-20230302430-A1 SELENIOUS ACID ADSORBENT NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2023-09-28 US disclosed
US-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS APICAL MOLECULAR BIOTECH CO., LTD. (TW) 2023-07-27 US disclosed
EP-4197975-A1 SELENIOUS ACID-ADSORBING MATERIAL National University Corporation Kanazawa University (JP) 2023-06-21 EP disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230124955-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-04-20 US disclosed
US-20070254952-A1 CANNABINOID RECEPTOR MODULATORS SCHERING CORPORATION 2007-11-01 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AEGERA THERAPEUTICS, INC. (CA) 2007-05-17 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
WO-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 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 (11 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 NOS2 2375/4885NOS3 2454/4885NOS1 1832/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS NOS2 712/4885NOS3 513/4885NOS1 1098/4885
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AADAC, NAT1, PMP22 NOS2 3270/4885NOS3 2899/4885NOS1 3522/4885
US-20070254952-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR119 NOS2 3262/4885NOS3 2772/4885NOS1 2850/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS NOS2 191/4885NOS3 318/4885NOS1 477/4885
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES HTR2A, HTR2C, HTR1D NOS2 1426/4885NOS3 2871/4885NOS1 2475/4885
US-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS FABP1, GLS2, SLC1A5 NOS2 200/4885NOS3 438/4885NOS1 107/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 NOS2 4213/4885NOS3 3549/4885NOS1 3426/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH NOS2 2999/4885NOS3 2848/4885NOS1 2155/4885
US-20230124955-A1 AMINO ACID-, PEPTIDE- AND POLYPEPTIDE-LIPIDS, ISOMERS, COMPOSITIONS, AND USES THEREOF APLNR, NPPA, ARGLU1 NOS2 893/4885NOS3 991/4885NOS1 1087/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS NOS2 712/4885NOS3 513/4885NOS1 1098/4885

“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.