SCHEMBL3532993

SCHEMBL3532993

N=C(N)Nc1nc2c(s1)CCCN(Cc1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
MAPT P10636 6/20 0.54
GAA P10253 6/20 0.54
KDM4E B2RXH2 6/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 5/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 4/20 0.50
HRH3 Q9Y5N1 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SLC27A1 Q6PCB7 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41

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
SCHEMBL3536301 0.87 GAA (0.69) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL3540371 0.72 ALDH1A1 (0.51) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL13314868 0.72 LMNA (0.43) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL14433245 0.72 ALDH1A1 (0.59) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL31420234 0.71 HRH3 (0.57) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL3536095 0.71 TSHR (0.58) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL13314772 0.71 TSHR (0.54) ALDH1A1MAPTGAARAB9ASMN1; SMN2
SCHEMBL3536791 0.71 MAPT (0.50) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL10825449 0.71 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL31420238 0.71 ALDH1A1 (0.66) ALDH1A1MAPTGAAKDM4ERAB9A

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 8 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

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 ALDH1A1 1895/4885MAPT 1891/4885GAA 1530/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 ALDH1A1 4570/4885MAPT 2646/4885GAA 3164/4885

“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.