SCHEMBL3533467

SCHEMBL3533467

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CG P48736 8/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CD O00329 3/20 0.39
PI4KB Q9UBF8 2/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10825327 0.87 GAA (0.42) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL3541476 0.86 GAA (0.46) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL9385295 0.84 GRM5 (0.51) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL10764703 0.84 GRAMD1A (0.43) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL10825473 0.84 ALDH1A1 (0.44) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL3536221 0.83 GRAMD1A (0.61) GRAMD1AGCK
SCHEMBL10825442 0.82 GAA (0.43) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL10825582 0.82 RAB9A (0.42) GRAMD1AGAAALDH1A1NPC1RAB9A
SCHEMBL3537610 0.81 GRAMD1A (0.45) GRAMD1AGAAALDH1A1KMT2ANPC1
SCHEMBL10825391 0.81 GAA (0.41) GRAMD1AGAAALDH1A1KMT2ANPC1

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 6 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
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 2459/4885GAA 1530/4885ALDH1A1 1895/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GRAMD1A 4477/4885GAA 3164/4885ALDH1A1 4570/4885

“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.