SCHEMBL3536221

SCHEMBL3536221

CC(C)(C)OC(=O)N1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.61
GCK P35557 18/20 0.50
ADORA1 P30542 1/20 0.47

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
SCHEMBL609862 0.87 GRAMD1A (0.64) GRAMD1AGCK
SCHEMBL12307416 0.85 GRAMD1A (0.62) GRAMD1AGCKADORA1
SCHEMBL3541476 0.85 GAA (0.46) GRAMD1AGCK
SCHEMBL16888099 0.85 GRAMD1A (0.61) GRAMD1AGCKADORA1
SCHEMBL9385295 0.83 GRM5 (0.51) GRAMD1AGCK
SCHEMBL3537605 0.83 GRAMD1A (0.45) GRAMD1AGCK
SCHEMBL3533467 0.83 GRAMD1A (0.43) GRAMD1AGCK
SCHEMBL23778494 0.82 GRAMD1A (0.58) GRAMD1AGCK
SCHEMBL10825327 0.81 GAA (0.42) GRAMD1A
SCHEMBL22274037 0.81 GRAMD1A (0.58) GRAMD1AGCK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 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 (2 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 GRAMD1A 2459/4885GCK 455/4885ADORA1 431/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GRAMD1A 4477/4885GCK 2943/4885ADORA1 138/4885

“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.