SCHEMBL3532977

SCHEMBL3532977

N=C(N)Nc1nc2c(s1)CC(c1ccc3c(c1)OCO3)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.52
RAB9A P51151 10/20 0.52
ALOX12 P18054 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 9/20 0.45
MAPT P10636 7/20 0.45
ALDH1A1 P00352 7/20 0.45
LMNA P02545 5/20 0.45
TSHR P16473 3/20 0.45
GAA P10253 2/20 0.45
OGA O60502 1/20 0.42
HTT P42858 2/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 5/20 0.37
ALOX15B O15296 1/20 0.35

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
SCHEMBL13314860 1.00 NPC1 (0.52) NPC1RAB9AALOX12NPSR1SMN1; SMN2
SCHEMBL13314834 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3536144 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3534984 0.81 LMNA (0.46) NPC1RAB9AALOX12SMN1; SMN2MAPT
SCHEMBL13314851 0.81 LMNA (0.46) NPC1RAB9AALOX12SMN1; SMN2MAPT
SCHEMBL3541679 0.81 MAPT (0.48) NPC1RAB9AALOX12NPSR1SMN1; SMN2
SCHEMBL3535979 0.80 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13314842 0.80 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13314768 0.80 MAPT (0.61) NPC1RAB9AALOX12NPSR1SMN1; SMN2
SCHEMBL3536226 0.80 MAPT (0.61) NPC1RAB9AALOX12NPSR1SMN1; SMN2

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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US claimed
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-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 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 (3 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-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 NPC1 2878/4885RAB9A 3087/4885ALOX12 3328/4885
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 NPC1 3023/4885RAB9A 4051/4885ALOX12 3599/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 NPC1 1533/4885RAB9A 3671/4885ALOX12 1749/4885

“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.