SCHEMBL3532863

SCHEMBL3532863

CCCCCNC(=O)N1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 2/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3CG P48736 4/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
DRD2 P14416 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
SCHEMBL10825391 0.97 GAA (0.41) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL10825442 0.93 GAA (0.43) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL10825473 0.88 ALDH1A1 (0.44) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL3537890 0.84 GAA (0.43) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL10825327 0.82 GAA (0.42) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL3534442 0.82 GRAMD1A (0.44) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL10825575 0.81 ALDH1A1 (0.48) GAAALDH1A1POLBNAMPTKMT2A
SCHEMBL9385295 0.80 GRM5 (0.51) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL3538844 0.80 GAA (0.39) GAAALDH1A1POLBKMT2AMAPT
SCHEMBL10764703 0.80 GRAMD1A (0.43) GAAALDH1A1POLBKMT2AMAPT

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 GAA 1530/4885ALDH1A1 1895/4885POLB 3270/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GAA 3164/4885ALDH1A1 4570/4885POLB 2406/4885

“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.