SCHEMBL744641

SCHEMBL744641

O=C(c1cn[c]s1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PHGDH O43175 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL746138 0.85 GAA (0.46) HPGDL3MBTL1ALDH1A1GAA
SCHEMBL23387924 0.85 GAA (0.42) HPGDL3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL23387885 0.74 SMN1; SMN2 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23387895 0.74 SMN1; SMN2 (0.54) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL31428487 0.73 HPGD (0.59) HPGDL3MBTL1SMN1; SMN2HTR2CALDH1A1
SCHEMBL20301969 0.72 HPGD (0.57) HPGDL3MBTL1SMN1; SMN2HTR2CALDH1A1
SCHEMBL15758159 0.71 SMN1; SMN2 (0.55) HPGDL3MBTL1SMN1; SMN2ALDH1A1PHGDH
SCHEMBL1657049 0.71 HPGD (0.60) HPGDL3MBTL1SMN1; SMN2HTR2CALDH1A1
SCHEMBL15921792 0.71 HPGD (0.60) HPGDL3MBTL1SMN1; SMN2HTR2CALDH1A1
SCHEMBL2060505 0.70 HPGD (0.58) HPGDL3MBTL1SMN1; SMN2HTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003663-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-04-30 CN claimed
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-23 US claimed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 US claimed
CN-115003663-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-09-02 CN claimed
WO-2021099303-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-27 WO claimed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 WO claimed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
CN-115003663-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-04-30 CN disclosed
CN-117567338-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2024-02-20 CN disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 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 (5 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 HPGD 2786/4885L3MBTL1 1131/4885SMN1; SMN2 4846/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 HPGD 2545/4885L3MBTL1 1099/4885SMN1; SMN2 4815/4885
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 HPGD 4450/4885L3MBTL1 34/4885SMN1; SMN2 4634/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 HPGD 2786/4885L3MBTL1 1131/4885SMN1; SMN2 4846/4885
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 HPGD 4450/4885L3MBTL1 34/4885SMN1; SMN2 4634/4885

“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.