Sugi Predict

Sugi Predict / Compounds / SCHEMBL746138

SCHEMBL746138

SCHEMBL746138

O=C(c1cn[c]s1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 9/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 3/20 0.45
▸ YEATS4 O95619 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GNE Q9Y223 1/20 0.37
▸ GRIA3 P42263 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ LMNA P02545 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
SCHEMBL23387924 0.96 GAA (0.42) GAAHPGDALDH1A1POLBYEATS4
SCHEMBL744641 0.85 HPGD (0.56) GAAHPGDALDH1A1L3MBTL1
SCHEMBL23387885 0.74 SMN1; SMN2 (0.54) GAAHPGDALDH1A1KDM4ELMNA
SCHEMBL23387895 0.74 SMN1; SMN2 (0.54) GAAHPGDALDH1A1KDM4ELMNA
SCHEMBL2224655 0.70 — —
SCHEMBL11100629 0.69 GAA (0.51) GAAHPGDALDH1A1POLBYEATS4
SCHEMBL855810 0.69 — —
SCHEMBL744657 0.69 — —
SCHEMBL23387941 0.68 HPGD (0.55) HPGDALDH1A1KDM4EGRIA3GRIA4
SCHEMBL14887797 0.68 ALDH1A1 (0.53) GAAHPGDALDH1A1POLBYEATS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-23 — — US disclosed
CN-115003663-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-09-02 — — CN disclosed
WO-2021099303-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-27 — — WO disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 — — US disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 — — US disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 — — EP disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 — — US 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 (6 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 GAA 4876/4885HPGD 2786/4885ALDH1A1 2447/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 GAA 4851/4885HPGD 2545/4885ALDH1A1 2501/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 GAA 4740/4885HPGD 3454/4885ALDH1A1 3562/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 GAA 4876/4885HPGD 2786/4885ALDH1A1 2447/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 GAA 4740/4885HPGD 3454/4885ALDH1A1 3562/4885
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 GAA 3193/4885HPGD 4450/4885ALDH1A1 4213/4885

“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.