SCHEMBL2454657

SCHEMBL2454657

O=C(O)N1CCC(c2nc(/C=N\O)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.38
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BAZ2A Q9UIF9 1/20 0.32

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
SCHEMBL15718159 1.00 FAAH (0.38) FAAHHSD11B1ALDH1A1TSHRHTT
SCHEMBL2454658 1.00 FAAH (0.38) FAAHHSD11B1ALDH1A1TSHRHTT
SCHEMBL15717197 0.88 BAZ2A (0.40) FAAHALDH1A1BAZ2A
SCHEMBL15717199 0.88 BAZ2A (0.40) FAAHALDH1A1BAZ2A
SCHEMBL1042847 0.85 FAAH (0.38) FAAHHSD11B1ALDH1A1TSHRHTT
SCHEMBL27800705 0.84 FAAH (0.37) FAAHHSD11B1ALDH1A1TSHRHTT
SCHEMBL3710634 0.82 GPR119 (0.48) HTT
SCHEMBL31017 0.82 GPR119 (0.48) HTT
SCHEMBL31016 0.82 GPR119 (0.48) HTT
SCHEMBL626858 0.81 SMYD3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds PI INDUSTRIES LTD. (IN) 2026-03-17 US disclosed
US-12471596-B2 Substituted 6-membered heteroaryl piperidinyl ethanones PI INDUSTRIES LTD. (IN) 2025-11-18 US disclosed
CN-115052875-B 4- (4, 5-Dihydroisoxazol-3-yl) thiazol-2-yl) piperidine-thioimine or sulphoxide-imine derivatives and related compounds as fungicides for crop protection PI工业有限公司 2024-07-12 CN disclosed
EP-4058451-B1 1-(4-(4-(5-PHENYL-4,5-DIHYDROISOXAZOL-3-YL)THIAZOL-2-YL)PIPERIDIN-1-YL)-ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CROP PROTECTION PI INDUSTRIES LTD (IN) 2024-03-06 EP disclosed
EP-2670747-B1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2023-07-19 EP disclosed
US-20230031192-A1 NOVEL SUBSTITUTED 6- MEMBERED HETEROARYL PIPERIDINYL ETHANONES PI INDUSTRIES LTD. (IN) 2023-02-02 US disclosed
US-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2023-01-19 US disclosed
EP-4058450-A2 4-(4-(4,5-DIHYDROISOXAZOL-3-YL)THIAZOL-2-YL) PIPERIDINE SULFILIMINE AND SULFOXIMINE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CROP PROTECTION PI Industries Ltd. (IN) 2022-09-21 EP disclosed
CN-114761403-A 1- (4- (4- (5-phenyl-4, 5-dihydroisoxazol-3-yl) thiazol-2-yl) piperidin-1-yl) -ethan-1-one derivatives and related compounds as crop protection fungicides PI工业有限公司 2022-07-15 CN disclosed
WO-2021094903-A1 1-(4-(4-(5-PHENYL-4,5-DIHYDROISOXAZOL-3-YL)THIAZOL-2-YL)PIPERIDIN-1-YL)-ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES FOR CROP PROTECTION PI INDUSTRIES LTD. (IN) 2021-05-20 WO disclosed
US-9167821-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-05 US disclosed
US-20140303210-A1 Heteroarylpiperidine and - piperazine derivates as fungicides BAYER CROPSCIENCE AG (DE) 2014-10-09 US disclosed
WO-2014154530-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
US-8822693-B2 Heteroarylpiperidine and-piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US disclosed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US disclosed
US-20120245204-A1 Unknown BAYER CROPSCIENCE AG (DE) 2012-09-27 US disclosed
US-20120122928-A1 Heteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 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 (10 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-20230012782-A1 NOVEL SULFILIMINES OR SULFOXIMINES CONTAINING FUNGICIDAL HETEROCYCLIC COMPOUNDS SULT1E1, SULT1A1, STS FAAH 479/4885HSD11B1 861/4885ALDH1A1 95/4885
US-12471596-B2 Substituted 6-membered heteroaryl piperidinyl ethanones CCNK, CCNA1, CYP1A1 FAAH 1586/4885HSD11B1 1584/4885ALDH1A1 182/4885
US-20150065541-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 FAAH 4711/4885HSD11B1 934/4885ALDH1A1 1846/4885
US-20230031192-A1 NOVEL SUBSTITUTED 6- MEMBERED HETEROARYL PIPERIDINYL ETHANONES CCNK, CYP1B1, CYP1A1 FAAH 1346/4885HSD11B1 1573/4885ALDH1A1 212/4885
US-20140303210-A1 Heteroarylpiperidine and - piperazine derivates as fungicides CYP4Z1, DPM1, CAT FAAH 4172/4885HSD11B1 1850/4885ALDH1A1 651/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 FAAH 4711/4885HSD11B1 934/4885ALDH1A1 1846/4885
US-20120245204-A1 Unknown CYP4Z1, DPM1, ERG28 FAAH 4188/4885HSD11B1 1770/4885ALDH1A1 891/4885
US-20120122928-A1 Heteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP1A1, PRXL2A, CYP1A2 FAAH 4710/4885HSD11B1 3540/4885ALDH1A1 1376/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 FAAH 4711/4885HSD11B1 934/4885ALDH1A1 1846/4885
US-12577239-B2 Sulfilimines or sulfoximines containing fungicidal heterocyclic compounds SULT1E1, CBR1, SULT1A1 FAAH 2112/4885HSD11B1 1725/4885ALDH1A1 159/4885

“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.