SCHEMBL3537366

SCHEMBL3537366

CC1CCCc2nc(NC(=N)N)sc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 3/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.32
STAT1 P42224 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13314866 1.00 NPC1 (0.35) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
Formic Acid SCHEMBL3538835 0.94 TSHR (0.34) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL24075688 0.81 TSHR (0.41) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL24075689 0.81 TSHR (0.41) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL17610074 0.81 TSHR (0.41) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL3535415 0.77 NPC1 (0.35) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL13314780 0.77 NPC1 (0.35) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL13314771 0.75 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3534685 0.75 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL3536095 0.72 TSHR (0.58) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1

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
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 NPC1 3023/4885RAB9A 4051/4885TSHR 142/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 NPC1 1533/4885RAB9A 3671/4885TSHR 340/4885

“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.