SCHEMBL3538593

SCHEMBL3538593

N=C(N)Nc1nc2c(s1)CN(C(=O)C1CC1)CC2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.54
RAB9A P51151 3/20 0.43
UCHL1 P09936 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK14 Q16539 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PARK7 Q99497 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9385295 0.84 GRM5 (0.51) GRM5RAB9AALDH1A1GAAMAPT
SCHEMBL10825582 0.84 RAB9A (0.42) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL10825327 0.82 GAA (0.42) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL10825600 0.82 RAB9A (0.42) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL10825446 0.82 GAA (0.42) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL10825644 0.81 POLB (0.44) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL3537610 0.81 GRAMD1A (0.45) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL3541476 0.81 GAA (0.46) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL3533467 0.79 GRAMD1A (0.43) GRM5RAB9AUCHL1ALDH1A1GAA
SCHEMBL10764703 0.79 GRAMD1A (0.43) RAB9AALDH1A1GAAMAPTNPC1

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 10 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
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO 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
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO 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 GRM5 78/4885RAB9A 4051/4885UCHL1 2944/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GRM5 82/4885RAB9A 3671/4885UCHL1 3138/4885

“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.