SCHEMBL3532980

SCHEMBL3532980

N=C(N)Nc1nc2c(s1)CCCC2c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.40
PSEN2 P49810 14/20 0.40
APH1B Q8WW43 14/20 0.40
NCSTN Q92542 14/20 0.40
APH1A Q96BI3 14/20 0.40
PSENEN Q9NZ42 14/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OGA O60502 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL3537650 0.80 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3532977 0.78 NPC1 (0.52) RAB9ANPC1ALOX12NPSR1ALDH1A1
SCHEMBL13314860 0.78 NPC1 (0.52) RAB9ANPC1ALOX12NPSR1ALDH1A1
Formic Acid SCHEMBL3537253 0.76 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3539725 0.72 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13314774 0.72 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13314780 0.70 NPC1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3535415 0.70 NPC1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3536663 0.68 NPC1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3536165 0.68 NPC1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3086/4885PSEN2 3231/4885APH1B 2343/4885
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 PSEN1 2771/4885PSEN2 2831/4885APH1B 3981/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 PSEN1 819/4885PSEN2 648/4885APH1B 1346/4885

“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.