SCHEMBL4650189

SCHEMBL4650189

CNC(C)C(OC(C)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA1A P35348 1/20 0.50
RGS12 O14924 1/20 0.50
GLA P06280 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
ADRA2C P18825 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
GNAI1 P63096 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.49

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
SCHEMBL14771663 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771667 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL6248391 0.85 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRCYP2C19HSD17B10
SCHEMBL28360980 0.83 CYP3A4 (0.51) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL12199933 0.83 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRCYP2D6HSD17B10
Acetic Acid SCHEMBL11356631 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771681 0.82 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771672 0.82 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL14771654 0.82 TSHR (0.46) ALDH1A1CYP3A4TSHRCHRM2ADRA1A
SCHEMBL11142451 0.82 TSHR (0.46) ALDH1A1CYP3A4TSHRCHRM2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857684-B2 Oral bilayer tablets comprising acetylsalicylic acid and pseudoephedrine, methods of preparing and using thereof BAYER HEALTHCARE LLC (US) 2024-01-02 US disclosed
US-11857684-B2 Oral bilayer tablets comprising acetylsalicylic acid and pseudoephedrine, methods of preparing and using thereof BAYER HEALTHCARE LLC (US) 2024-01-02 US disclosed
WO-2022103620-A1 ORAL BILAYER TABLETS COMPRISING ACETYLSALICYLIC ACID AND PSEUDOEPHEDRINE, METHODS OF PREPARING AND USING THEREOF BAYER HEALTHCARE LLC (US) 2022-05-19 WO disclosed
US-20220151936-A1 ORAL BILAYER TABLETS COMPRISING ACETYLSALICYLIC ACID AND PSEUDOEPHEDRINE, METHODS OF PREPARING AND USING THEREOF BAYER HEALTHCARE LLC (US) 2022-05-19 US disclosed
US-20080293971-A1 A Process for the Preparation of R-(-)-N, Alpha-Dimethylphenethylamine (Levmethamfetamine) or S-(+)-N, Alpha-Dimethylphenethylamine (Methamphetamine) from D-Ephendrine, or L-Ephedrine Respectively EMMELLEN BIOTECH PHARMACEUTICALS LIMITED (IN) 2008-11-27 US disclosed
EP-1828105-B1 A PROCESS FOR THE PREPARATION OF R-(-)-N, ALPHA-DIMETHYLPHENETHYLAMINE (LEVMETAMFETAMINE) OR S-(+)-N, ALPHA-DIMETHYLPHENETHYLAMINE (METHAMPHETAMINE) FROM d-EPHEDRINE OR L-EPHEDRINE RESPECTIVELY EMMELLEN BIOTECH PHARMACEUTICA (IN) 2008-09-03 EP disclosed
EP-1828105-A1 A PROCESS FOR THE PREPARATION OF R-(-)-N, ALPHA-DIMETHYLPHENETHYLAMINE (LEVMETAMFETAMINE) OR S-(+)-N, ALPHA-DIMETHYLPHENETHYLAMINE (METHAMPHETAMINE) FROM d-EPHEDRINE OR L-EPHEDRINE RESPECTIVELY Emmellen Biotech Pharmaceuticals Limited (IN) 2007-09-05 EP disclosed
WO-2006067794-A1 A PROCESS FOR THE PREPARATION OF R-(-)-N, α-DIMETHYLPHENETHYLAMINE (LEVMETAMFETAMINE) OR S-(+)-N, α-DIMETHYLPHENETHYLAMINE (METHAMPHETAMINE) FROM d-EPHEDRINE OR L-EPHEDRINE RESPECTIVELY EMMELLEN BIOTECH PHARMACEUTICALS LIMITED (IN) 2006-06-29 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 (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-20220151936-A1 ORAL BILAYER TABLETS COMPRISING ACETYLSALICYLIC ACID AND PSEUDOEPHEDRINE, METHODS OF PREPARING AND USING THEREOF PTGDR, PLA2G7, PTGIR ALDH1A1 3274/4885CYP3A4 307/4885TSHR 4326/4885
US-20080293971-A1 A Process for the Preparation of R-(-)-N, Alpha-Dimethylphenethylamine (Levmethamfetamine) or S-(+)-N, Alpha-Dimethylphenethylamine (Methamphetamine) from D-Ephendrine, or L-Ephedrine Respectively HNMT, DDT, METTL3 ALDH1A1 252/4885CYP3A4 468/4885TSHR 2976/4885
US-11857684-B2 Oral bilayer tablets comprising acetylsalicylic acid and pseudoephedrine, methods of preparing and using thereof PTGDR, PLA2G7, PTGIR ALDH1A1 3274/4885CYP3A4 307/4885TSHR 4326/4885

“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.