SCHEMBL2671508

SCHEMBL2671508

COc1ccc(C[C@](C)(N)Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.60
TAAR1 Q96RJ0 2/20 0.53
SLC6A2 P23975 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
MMP1 P03956 2/20 0.48
MMP13 P45452 2/20 0.48
HTT P42858 1/20 0.47
CA4 P22748 1/20 0.46
CASR P41180 1/20 0.46
MMP9 P14780 1/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL516033 0.84 TAAR1 (0.73) TAAR1SLC6A2SIGMAR1
SCHEMBL5516493 0.83 IDO1 (0.47) LTA4HTAAR1CASRIDO1AGXT
SCHEMBL9583292 0.83 TAAR1 (0.52) LTA4HTAAR1CASRIDO1AGXT
SCHEMBL8976499 0.82 LTA4H (0.52) LTA4HTAAR1SLC6A2SIGMAR1MMP1
SCHEMBL5305755 0.82 LTA4H (0.52) LTA4HTAAR1SLC6A2SIGMAR1MMP1
Ammonia Solution, Strong SCHEMBL2477835 0.82 SLC6A2 (0.70) TAAR1SLC6A2SIGMAR1
SCHEMBL17964411 0.81 LTA4H (0.55) LTA4HTAAR1SLC6A2SIGMAR1HTT
SCHEMBL183751 0.80 SLC6A2 (0.57) LTA4HTAAR1SLC6A2IDO1AGXT
SCHEMBL17964410 0.80 LTA4H (0.53) LTA4HTAAR1SLC6A2SIGMAR1HTT
SCHEMBL28222289 0.79 LTA4H (0.62) LTA4HSIGMAR1MMP1MMP13HTT

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
EP-2195285-B1 ACETAMIDE STEREOISOMER SUNOVION PHARMACEUTICALS INC (US) 2018-08-01 EP disclosed
US-9499476-B2 Acetamide stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2016-11-22 US disclosed
US-20150225334-A1 ACETAMIDE STEREOISOMER SUNOVION PHARMACEUTICALS INC. (US) 2015-08-13 US disclosed
US-9040588-B2 Acetamide stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2015-05-26 US disclosed
US-20140135300-A1 Acetamide Stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2014-05-15 US disclosed
US-8664441-B2 Acetamide stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2014-03-04 US disclosed
US-20130296607-A1 Acetamide Stereoisomer SUNOVION PHARMACEUTICALS, INC. 2013-11-07 US disclosed
US-8501994-B2 Acetamide stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2013-08-06 US disclosed
EP-2190813-B1 CARBAMATE STEREOISOMER SEPRACOR INC (US) 2013-07-31 EP disclosed
US-8173829-B2 Carbamate stereoisomer SUNOVION PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
US-20100215589-A1 Carbamate Stereoisomer SEPRACOR INC. (US) 2010-08-26 US disclosed
US-7718822-B2 Carbamate Stereoisomer SEPRACOR INC. (US) 2010-05-18 US disclosed
US-20090060917-A1 Carbamate Stereoisomer SEPRACOR INC. (US) 2009-03-05 US disclosed
US-20090060922-A1 Acetamide Stereoisomer SEPRACOR INC. (US) 2009-03-05 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 (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-20140135300-A1 Acetamide Stereoisomer ADRB2, ADRA2A, ADRB1 LTA4H 116/4885TAAR1 160/4885SLC6A2 1256/4885
US-20150225334-A1 ACETAMIDE STEREOISOMER ADRB2, ADRA2A, ADRB1 LTA4H 116/4885TAAR1 160/4885SLC6A2 1256/4885
US-20090060917-A1 Carbamate Stereoisomer ADRB2, CHRM3, CHRM2 LTA4H 355/4885TAAR1 641/4885SLC6A2 1600/4885
US-20100215589-A1 Carbamate Stereoisomer ADRB2, CHRM3, CHRM2 LTA4H 355/4885TAAR1 641/4885SLC6A2 1600/4885
US-20090060922-A1 Acetamide Stereoisomer ADRB2, ADRA2A, ADRB1 LTA4H 114/4885TAAR1 161/4885SLC6A2 1066/4885
US-20130296607-A1 Acetamide Stereoisomer ADRB2, ADRA2A, ADRB1 LTA4H 116/4885TAAR1 160/4885SLC6A2 1256/4885

“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.