SCHEMBL20086563

SCHEMBL20086563

Cc1cnc(N(C)C)c(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
APLNR P35414 1/20 0.35
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
SLC6A2 P23975 2/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
PSMD14 O00487 1/20 0.31
COPS5 Q92905 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
AURKA O14965 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20091025 0.74 LMNA (0.41) LMNACYP1A2AURKAKMT2A
SCHEMBL22168997 0.74 MAP4K4 (0.38) LMNACYP1A2KMT2A
SCHEMBL2738314 0.74 CCR1 (0.38) NOS3NOS1NOS2APLNRCCR1
SCHEMBL15061923 0.74 NOS3 (0.54) NOS3NOS1NOS2APLNRCCR1
SCHEMBL13438492 0.72 CCR1 (0.37) NOS3NOS1NOS2APLNRCCR1
SCHEMBL25816541 0.72 CCR1 (0.37) NOS3NOS1NOS2APLNRCCR1
SCHEMBL15061930 0.71 NOS3 (0.40) NOS3NOS1NOS2CCR1CCR5
SCHEMBL17778679 0.71 NOS3 (0.40) NOS3NOS1NOS2CCR1CCR5
SCHEMBL21736908 0.71 CCR1 (0.35) NOS3NOS1NOS2APLNRCCR1
SCHEMBL17703483 0.71 NOS1 (0.40) NOS3NOS1NOS2CCR1CCR5

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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE LYCERA CORPORATION 2018-04-26 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-20180111922-A1 DIHYDRO-2H-BENZO[b][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATEMENT OF DISEASE RORB, RORA, RORC NOS3 4036/4885NOS1 3365/4885NOS2 3492/4885

“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.