SCHEMBL22181777

SCHEMBL22181777

CCCC(C)c1cccc(OC(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
DGKZ Q13574 1/20 0.38
MBOAT4 Q96T53 1/20 0.35
MCHR1 Q99705 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32

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
SCHEMBL22181485 0.87 PDE10A (0.37) PDE10ADGKZMBOAT4MCHR1HCRTR1
SCHEMBL21117240 0.82 HRH1 (0.39) PDE10ADGKZMCHR1
SCHEMBL18948948 0.81 MAPK8 (0.42) MCHR1HCRTR1HCRTR2
SCHEMBL17356166 0.80 MBOAT4 (0.36) PDE10ADGKZMBOAT4HCRTR1HCRTR2
SCHEMBL27929264 0.77 MBOAT4 (0.35) PDE10ADGKZMBOAT4HCRTR1HCRTR2
SCHEMBL19121603 0.73 POLB (0.34) MCHR1
SCHEMBL18672330 0.73 HTT (0.41) MCHR1
SCHEMBL21117063 0.72 HRH1 (0.37) PDE10ADGKZ
SCHEMBL2563280 0.71 DGKZ (0.34) DGKZ
SCHEMBL18596915 0.71 TSHR (0.33) MCHR1

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-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 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-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB PDE10A 2092/4885DGKZ 2878/4885MBOAT4 3267/4885

“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.