SCHEMBL1193153

SCHEMBL1193153

NC(CO)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.50
TACR1 P25103 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
ACP3 P15309 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
SCN9A Q15858 2/20 0.43
CYP2D6 P10635 1/20 0.43
MTNR1A P48039 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
AKT1 P31749 1/20 0.41

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
SCHEMBL4665442 0.86 TACR1 (0.48) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL31332121 0.84 EPHX1 (0.61) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL3441407 0.83 TACR1 (0.51) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL3470972 0.83 TACR1 (0.51) CTNNB1TACR1TDP1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3472368 0.81 TACR1 (0.50) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL7276950 0.81 CTNNB1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL7402726 0.81 CTNNB1 (0.53) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL3681421 0.80 CYP1A2 (0.52) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL1927058 0.80 TDP1 (0.57) CTNNB1TACR1TDP1CYP1A2CYP2C19
SCHEMBL2027675 0.80 TDP1 (0.57) CTNNB1TACR1TDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US claimed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP claimed
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
EP-1673375-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-Sipsy (FR) 2006-06-28 EP disclosed
WO-2005035540-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-SIPSY (FR) 2005-04-21 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 (2 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 CTNNB1 3710/4885TACR1 1000/4885TDP1 3759/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 CTNNB1 2578/4885TACR1 4234/4885TDP1 538/4885

“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.