SCHEMBL3063294

SCHEMBL3063294

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.47
HCRTR1 O43613 11/20 0.47
GRM5 P41594 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SCN9A Q15858 1/20 0.42
PDE4B Q07343 1/20 0.41
HTT P42858 1/20 0.41
PDK2 Q15119 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL3058402 0.86 SCN9A (0.49) HCRTR2HCRTR1CDK4CCND1SCN9A
SCHEMBL1398880 0.86 TSHR (0.54) HCRTR2HCRTR1
SCHEMBL3058144 0.86 CDK4 (0.46) HCRTR2HCRTR1GRM5CDK4CCND1
SCHEMBL3048571 0.85 RORB (0.50) HCRTR2HCRTR1MAOAMAOBPDK2
SCHEMBL3063297 0.82 HCRTR2 (0.50) HCRTR2HCRTR1GRM5CDK4CCND1
SCHEMBL3065362 0.81 MAOB (0.43) CDK4CCND1MAOBPDE4BPDK2
SCHEMBL1398915 0.81 HCRTR1 (0.47) HCRTR2HCRTR1PDK2ALOX5APFEN1
SCHEMBL3058143 0.79 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL4740969 0.79 PDK2 (0.51) HCRTR2HCRTR1SCN9APDK2
SCHEMBL3415999 0.77 HCRTR2 (0.48) HCRTR2HCRTR1GRM5CDK4CCND1

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 HCRTR2 1/4885HCRTR1 2/4885GRM5 315/4885

“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.