SCHEMBL3537016

SCHEMBL3537016

COCC(C)NC(=S)N1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.41
GRAMD1A Q96CP6 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL13314909 0.88 GCK (0.42) GCKGRAMD1A
SCHEMBL3534454 0.87 GRAMD1A (0.39) GCKGRAMD1AALDH1A1
SCHEMBL10756234 0.79 RAB9A (0.38) GRAMD1AALDH1A1
SCHEMBL3538844 0.79 GAA (0.39) GRAMD1AALDH1A1
SCHEMBL3537071 0.77 ALOX15 (0.44) GRAMD1AALDH1A1
SCHEMBL10764703 0.76 GRAMD1A (0.43) GCKGRAMD1AALDH1A1
SCHEMBL3537610 0.76 GRAMD1A (0.45) GCKGRAMD1AALDH1A1
SCHEMBL3534502 0.75 GAA (0.43) GRAMD1AALDH1A1
SCHEMBL10825512 0.74 GAA (0.43) ALDH1A1
SCHEMBL9385295 0.74 GRM5 (0.51) GCKGRAMD1AALDH1A1

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 4 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-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 GCK 455/4885GRAMD1A 2459/4885ALDH1A1 1895/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GCK 2943/4885GRAMD1A 4477/4885ALDH1A1 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.