SCHEMBL3544686

SCHEMBL3544686

COc1cccc(C2CCc3nc(NC(=N)N)sc3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ADRA1A P35348 1/20 0.47
TP53 P04637 4/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 5/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL13314854 1.00 MAPT (0.48) MAPTALDH1A1MAPK1SMN1; SMN2ADRA1A
Formic Acid SCHEMBL3543526 0.95 MAPT (0.47) MAPTALDH1A1MAPK1SMN1; SMN2ADRA1A
SCHEMBL13314827 0.88 MAPT (0.52) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL3534563 0.88 MAPT (0.52) MAPTALDH1A1MAPK1SMN1; SMN2TP53
Bromide SCHEMBL3538499 0.87 MAPT (0.51) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL13314850 0.87 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL3540505 0.87 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL13314842 0.86 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL3535979 0.86 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL3540986 0.85 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2TP53

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-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
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
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO 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 MAPT 1891/4885ALDH1A1 1895/4885MAPK1 913/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885ALDH1A1 4570/4885MAPK1 1329/4885

“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.