SCHEMBL3542167

SCHEMBL3542167

CCC1(C)CCc2sc(NC(=N)N)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
PARP1 P09874 1/20 0.34
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
HTT P42858 2/20 0.30
MAPT P10636 2/20 0.30
NFKB1 P19838 2/20 0.30
NFKB2 Q00653 2/20 0.30
RELA Q04206 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL13314863 1.00 TSHR (0.35) TSHRPARP1LMNAALDH1A1HSD17B10
SCHEMBL3534305 0.84 TSHR (0.38) TSHRLMNAALDH1A1HSD17B10MAPK1
Formic Acid SCHEMBL3541204 0.79 TSHR (0.36) TSHRLMNAALDH1A1HSD17B10MAPK1
SCHEMBL3537276 0.76 PDK1 (0.50) TSHRPARP1LMNAALDH1A1HSD17B10
SCHEMBL13314864 0.76 TMIGD3 (0.38) TSHRLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL3543197 0.76 TMIGD3 (0.38) TSHRLMNAALDH1A1MAPK1L3MBTL1
SCHEMBL19132872 0.75 APOBEC3A (0.43) LMNAALDH1A1KDM4EMAPT
SCHEMBL19132690 0.73 PIK3CG (0.41) TSHRPARP1LMNAALDH1A1HSD17B10
SCHEMBL13314783 0.72 TSHR (0.32) TSHRPARP1LMNANPC1RAB9A
SCHEMBL3536434 0.72 TSHR (0.32) TSHRPARP1LMNANPC1RAB9A

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 9 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
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 TSHR 142/4885PARP1 2737/4885LMNA 2988/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 TSHR 340/4885PARP1 3588/4885LMNA 866/4885

“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.