SCHEMBL1152831

SCHEMBL1152831

CC(C)C[C@@H](N)C1(O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC6A2 P23975 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
ANPEP P15144 5/20 0.34
SLC7A5 Q01650 1/20 0.33
LAP3 P28838 2/20 0.32
ERAP1 Q9NZ08 2/20 0.32
ERAP2 Q6P179 1/20 0.31
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL1661017 1.00 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
SCHEMBL1663593 0.98 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
SCHEMBL7103362 0.98 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
SCHEMBL7675403 0.98 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
SCHEMBL1152845 0.98 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
SCHEMBL1152611 0.95 TSHR (0.42) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
SCHEMBL7105929 0.95 TSHR (0.42) SLC6A4SLC6A3SLC6A2TSHRCYP3A4
Hydrochloric Acid SCHEMBL23909488 0.74 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL23909486 0.74 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL7100645 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
CN-100408553-C Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the same SUMITOMO CHEMICAL CO (JP) 2008-08-06 CN disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
CN-1898196-A Process for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 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 (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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 SLC6A4 3753/4885SLC6A3 4072/4885SLC6A2 4608/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 SLC6A4 3753/4885SLC6A3 4072/4885SLC6A2 4608/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 SLC6A4 2470/4885SLC6A3 1876/4885SLC6A2 2607/4885

“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.