SCHEMBL3048345

SCHEMBL3048345

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.40
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CTSD P07339 1/20 0.37
LPAR1 Q92633 6/20 0.37
LPAR5 Q9H1C0 2/20 0.37
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
MEN1 O00255 1/20 0.36
ACHE P22303 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
SCHEMBL3048364 1.00 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1HTR1APPARG
SCHEMBL3055734 0.92 ALDH1A1 (0.45) HCRTR1HCRTR2ALDH1A1HTR1APPARG
SCHEMBL3046297 0.92 ALDH1A1 (0.45) HCRTR1HCRTR2ALDH1A1HTR1APPARG
SCHEMBL3057175 0.90 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1HTR1AKMT2A
SCHEMBL3052731 0.90 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1HTR1AKMT2A
SCHEMBL3048360 0.87 CYP3A4 (0.39) HCRTR1HCRTR2HTR1APPARGPPARA
SCHEMBL3048342 0.87 CYP3A4 (0.39) HCRTR1HCRTR2HTR1APPARGPPARA
SCHEMBL3062587 0.87 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1HTR1APPARG
SCHEMBL3062719 0.87 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1HTR1APPARG
SCHEMBL3050416 0.86 BACE1 (0.38) HCRTR1HCRTR2ALDH1A1HTR1AKMT2A

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 HCRTR1 3230/4885HCRTR2 3029/4885ALDH1A1 15/4885

“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.