SCHEMBL3048571

SCHEMBL3048571

NC(=O)C1CCN1C(=O)c1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORB Q92753 5/20 0.50
RORC P51449 3/20 0.50
PDK2 Q15119 1/20 0.43
TRPV1 Q8NER1 2/20 0.41
CHRM3 P20309 1/20 0.41
KLRK1 P26718 2/20 0.40
MICA Q29983 2/20 0.40
RAET1L Q5VY80 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PARP1 P09874 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL4740969 0.94 PDK2 (0.51) RORBRORCPDK2TRPV1CHRM3
SCHEMBL3063294 0.85 HCRTR2 (0.47) PDK2HCRTR1HCRTR2MAOAMAOB
SCHEMBL3048574 0.83 RORB (0.49) RORBRORCTRPV1CHRM3KLRK1
SCHEMBL1398880 0.83 TSHR (0.54) HCRTR1HCRTR2
SCHEMBL3058144 0.83 CDK4 (0.46) CHRM3HCRTR1HCRTR2
SCHEMBL4784756 0.81 PDK2 (0.51) PDK2TRPV1HCRTR1HCRTR2
SCHEMBL1398789 0.80 POLB (0.56) PDK2
SCHEMBL4740974 0.80 TRPV1 (0.54) RORBRORCTRPV1CHRM3HCRTR1
SCHEMBL2930625 0.79 RORB (0.47) RORBRORCTRPV1CHRM3KLRK1
SCHEMBL3058402 0.79 SCN9A (0.49) HCRTR1HCRTR2

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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R RORB 406/4885RORC 651/4885PDK2 3039/4885

“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.