SCHEMBL3540371

SCHEMBL3540371

N=C(N)Nc1nc2c(s1)CN(C(=O)Cc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
GAA P10253 6/20 0.51
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 7/20 0.50
MEN1 O00255 2/20 0.48
GRM5 P41594 5/20 0.48
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL10825449 0.86 ALDH1A1 (0.49) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL3538244 0.85 ALDH1A1 (0.50) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL10825575 0.84 ALDH1A1 (0.48) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL3535060 0.83 RAB9A (0.48) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL3536791 0.82 MAPT (0.50) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL3536301 0.81 GAA (0.69) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL10825368 0.80 GAA (0.53) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL10825363 0.80 GAA (0.53) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL3534502 0.80 GAA (0.43) ALDH1A1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL3536430 0.80 UCHL1 (0.41) ALDH1A1GAARAB9AKDM4ESMN1; 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 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 ALDH1A1 1895/4885GAA 1530/4885RAB9A 4051/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 ALDH1A1 4570/4885GAA 3164/4885RAB9A 3671/4885

“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.