SCHEMBL3048574

SCHEMBL3048574

NCC1CCN1C(=O)c1ccccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORB Q92753 3/20 0.49
RORC P51449 2/20 0.49
TRPV1 Q8NER1 1/20 0.46
CHRM3 P20309 1/20 0.44
HCRTR1 O43613 10/20 0.43
HCRTR2 O43614 10/20 0.43
TACR1 P25103 2/20 0.41
KLRK1 P26718 1/20 0.41
MICA Q29983 1/20 0.41
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL4740974 0.94 TRPV1 (0.54) RORBRORCTRPV1CHRM3HCRTR1
SCHEMBL3063297 0.85 HCRTR2 (0.50) CHRM3HCRTR1HCRTR2
SCHEMBL1398834 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398831 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3048571 0.83 RORB (0.50) RORBRORCTRPV1CHRM3HCRTR1
SCHEMBL3058147 0.83 MEN1 (0.48) CHRM3HCRTR1HCRTR2
SCHEMBL4784760 0.81 HCRTR1 (0.53) TRPV1CHRM3HCRTR1HCRTR2
SCHEMBL2930629 0.81 RORB (0.46) RORBRORCHCRTR1HCRTR2KLRK1
SCHEMBL1398791 0.80 LMNA (0.54) TACR1
SCHEMBL4740969 0.80 PDK2 (0.51) RORBRORCTRPV1CHRM3HCRTR1

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 651/4885TRPV1 407/4885

“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.