SCHEMBL3057776

SCHEMBL3057776

CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC(N)=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.52
TACR2 P21452 2/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
TRPM8 Q7Z2W7 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
SCHEMBL3051048 1.00 TACR1 (0.52) TACR1TACR2GPBAR1TRPM8
SCHEMBL3061060 1.00 TACR1 (0.52) TACR1TACR2GPBAR1TRPM8
SCHEMBL3060247 0.91 TRPM8 (0.49) TACR1TRPM8
SCHEMBL3058232 0.91 TRPM8 (0.49) TACR1TRPM8
SCHEMBL3060312 0.89 MEN1 (0.46) TACR1TRPM8
SCHEMBL3048426 0.89 MEN1 (0.46) TACR1TRPM8
SCHEMBL3060315 0.89 TACR1 (0.54) TACR1TACR2GPBAR1
SCHEMBL3046288 0.86 TACR1 (0.47) TACR1GPBAR1TRPM8
SCHEMBL3054237 0.86 TACR1 (0.47) TACR1GPBAR1TRPM8
SCHEMBL3060715 0.84 TACR1 (0.46) TACR1GPBAR1TRPM8

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 TACR1 1055/4885TACR2 1387/4885GPBAR1 82/4885

“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.