Sugi Predict

Sugi Predict / Compounds / SCHEMBL2597648

SCHEMBL2597648

SCHEMBL2597648

N#CC1CCN(C(=O)CCl)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ YAP1 P46937 1/20 0.42
▸ TEAD4 Q15561 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ GPX4 P36969 1/20 0.35
▸ JAK1 P23458 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ KDM5B Q9UGL1 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
SCHEMBL16083144 0.89 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL16145533 0.89 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL16405709 0.82 DPP4 (0.39) ALDH1A1NPC1JAK1DPP4PREP
SCHEMBL13079257 0.81 ALDH1A1 (0.36) ALDH1A1NPC1JAK1DPP4PREP
SCHEMBL13045920 0.81 EPHX2 (0.47) ALDH1A1NPC1
SCHEMBL15808560 0.81 CPN1 (0.46) ALDH1A1NPC1JAK1DPP4PREP
SCHEMBL29431847 0.80 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL14655446 0.79 NAMPT (0.47) ALDH1A1SMYD3NPC1JAK1DPP4
SCHEMBL2707285 0.78 ALDH1A1 (0.34) ALDH1A1DPP4
SCHEMBL13282679 0.77 DPP4 (0.49) ALDH1A1NPC1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP claimed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 — — EP claimed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 — — US claimed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US claimed
CN-104478805-A Fungicidal azacyclic amides DU PONT 2015-04-01 — — CN claimed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 — — US claimed
CN-117645632-A Compound, pesticide preparation and application thereof 山东京博农化科技股份有限公司 2024-03-05 — — CN disclosed
WO-2023007429-A1 PREPARATION OF PHENYL SULFILIMINES OR SULFOXIMINES CONTAINING THIAZOLYL-PIPERIDINYL COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 — — WO disclosed
CN-114685481-A Preparation method of oxathiapiprolin 南通泰禾化工股份有限公司 2022-07-01 — — CN disclosed
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 — — CN disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 — — EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 — — WO disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 — — US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 — — WO disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 — — EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 — — WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 — — 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 (3 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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 ALDH1A1 999/4885HTT 4113/4885SMN1; SMN2 3677/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 ALDH1A1 999/4885HTT 4113/4885SMN1; SMN2 3677/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 ALDH1A1 999/4885HTT 4113/4885SMN1; SMN2 3677/4885

“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.