SCHEMBL6897228

SCHEMBL6897228

CC(C)CC(C(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
RNPEP Q9H4A4 1/20 0.48
SLC1A3 P43003 3/20 0.46
SLC1A2 P43004 3/20 0.46
CACNA2D1 P54289 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
MME P08473 1/20 0.39
CPA1 P15085 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38

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
SCHEMBL7624329 1.00 SLC7A5 (0.54) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL14859907 0.89 SLC7A5 (0.46) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
Hydroxyamine SCHEMBL20817080 0.83 SLC7A5 (0.59) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL1200181 0.83 RNPEP (0.57) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL28071461 0.82 SLC7A5 (0.41) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL6896640 0.80 SLC7A5 (0.50) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL28745057 0.80 SLC7A5 (0.67) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL25381978 0.77 MMP8 (0.50)
SCHEMBL6826049 0.77 MMP3 (0.46) SLC7A5RNPEPSLC1A3SLC1A2CACNA2D1
SCHEMBL6896224 0.77 MME (0.50) SLC7A5MME

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP claimed
US-10428012-B2 Method of preparation of 4-isopropylamino-1-butanol SEASONS BIOTECHNOLOGY CO., LTD. (CN) 2019-10-01 US disclosed
US-20190084921-A1 METHOD OF PREPARATION OF 4-ISOPROPYLAMINO-1-BUTANOL SEASONS BIOTECHNOLOGY TAIZHOU CO LTD (CN) 2019-03-21 US disclosed
US-10144701-B2 Method for preparing 4-isopropylamino-1-butanol Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2018-12-04 US disclosed
US-20180029973-A1 METHOD FOR PREPARING 4-ISOPROPYLAMINO-1-BUTANOL Seasons Biotechnology (Taizhou) Co., Ltd. (CN) 2018-02-01 US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1189638-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-27 EP disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2001000187-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP disclosed
US-5466708-A Carbamyloxyoxetanone compounds HOFFMANN-LA ROCHE INC. (US) 1995-11-14 US disclosed
US-5376674-A Lipase inhibitors HOFFMAN-LA ROCHE INC. (US) 1994-12-27 US disclosed
US-5260310-A Oxetanone compounds and pharmaceutical compositions containing them HOFFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0444482-A2 Oxetanones F. HOFFMANN-LA ROCHE AG (CH) 1991-09-04 EP 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 (4 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-20190084921-A1 METHOD OF PREPARATION OF 4-ISOPROPYLAMINO-1-BUTANOL ADH1A, ADH1C, ADH5 SLC7A5 3661/4885RNPEP 1632/4885SLC1A3 4347/4885
US-10428012-B2 Method of preparation of 4-isopropylamino-1-butanol ADH1A, ADH1C, ADH5 SLC7A5 3661/4885RNPEP 1632/4885SLC1A3 4347/4885
US-20180029973-A1 METHOD FOR PREPARING 4-ISOPROPYLAMINO-1-BUTANOL ADH1A, ADH1C, ADH5 SLC7A5 3420/4885RNPEP 1660/4885SLC1A3 4168/4885
US-10144701-B2 Method for preparing 4-isopropylamino-1-butanol ADH1A, ADH1C, ADH5 SLC7A5 3420/4885RNPEP 1660/4885SLC1A3 4168/4885

“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.