SCHEMBL3048414

SCHEMBL3048414

CN(C(=O)c1cccc(OC(F)(F)F)c1)[C@H](CC(N)=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
HDAC8 Q9BY41 1/20 0.44
GPR139 Q6DWJ6 1/20 0.42
MAPK14 Q16539 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
KMT2A Q03164 1/20 0.40
KAT6A Q92794 1/20 0.40
EPHX1 P07099 1/20 0.39
AMPD2 Q01433 1/20 0.39
MME P08473 1/20 0.39
CETP P11597 2/20 0.39
F10 P00742 1/20 0.38
CTSD P07339 2/20 0.38

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
SCHEMBL3058133 1.00 TRPM8 (0.52) TRPM8HCRTR1HCRTR2HDAC8GPR139
SCHEMBL3058136 0.88 HCRTR1 (0.51) TRPM8HCRTR1HCRTR2HDAC8GPR139
SCHEMBL3048416 0.88 HCRTR1 (0.51) TRPM8HCRTR1HCRTR2HDAC8GPR139
SCHEMBL3049767 0.87 HCRTR1 (0.47) TRPM8HCRTR1HCRTR2GPR139KMT2A
SCHEMBL3058113 0.87 HCRTR1 (0.47) TRPM8HCRTR1HCRTR2GPR139KMT2A
SCHEMBL3046975 0.85 HCRTR1 (0.59) HCRTR1HCRTR2MRGPRX4KMT2AKAT6A
SCHEMBL3058130 0.85 HCRTR1 (0.59) HCRTR1HCRTR2MRGPRX4KMT2AKAT6A
SCHEMBL3058232 0.84 TRPM8 (0.49) TRPM8HDAC8EPHX1
SCHEMBL3060247 0.84 TRPM8 (0.49) TRPM8HDAC8EPHX1
SCHEMBL3053241 0.83 KMT2A (0.51) HCRTR1HCRTR2KMT2AKAT6A

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 TRPM8 1326/4885HCRTR1 3230/4885HCRTR2 3029/4885

“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.