SCHEMBL3048342

SCHEMBL3048342

COc1cc(F)cc(C(=O)N(C)[C@H](CC(N)=O)Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
TACR1 P25103 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CTSD P07339 1/20 0.37
LPAR1 Q92633 5/20 0.37
TNF P01375 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL3048360 1.00 CYP3A4 (0.39) CYP3A4CYP2C19HTR1APPARGPPARA
SCHEMBL3055732 0.92 TACR1 (0.44) HTR1APPARGPPARATACR1HCRTR1
SCHEMBL3046296 0.92 TACR1 (0.44) HTR1APPARGPPARATACR1HCRTR1
SCHEMBL3052727 0.90 NR1I2 (0.39) CYP3A4CYP2C19HTR1APPARGPPARA
SCHEMBL3057173 0.90 NR1I2 (0.39) CYP3A4CYP2C19HTR1APPARGPPARA
SCHEMBL3048345 0.87 HCRTR1 (0.41) HTR1APPARGPPARAHCRTR1HCRTR2
SCHEMBL3048364 0.87 HCRTR1 (0.41) HTR1APPARGPPARAHCRTR1HCRTR2
SCHEMBL3062715 0.87 F2 (0.41) HTR1APPARGPPARATACR1HCRTR1
SCHEMBL3062581 0.87 F2 (0.41) HTR1APPARGPPARATACR1HCRTR1
SCHEMBL3049767 0.86 HCRTR1 (0.47) HTR1AHCRTR1HCRTR2KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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 (1 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 CYP3A4 101/4885CYP2C19 357/4885HTR1A 1265/4885

“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.