SCHEMBL3536340

SCHEMBL3536340

C=CCNC(=O)C1CCCc2sc(NC(=N)N)nc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ADRB3 P13945 5/20 0.36
KMT2A Q03164 1/20 0.35
XIAP P98170 2/20 0.35
KCNH2 Q12809 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P2RX7 Q99572 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A4 P31645 1/20 0.30
SCN5A Q14524 1/20 0.30
TSHR P16473 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
SCHEMBL13314792 1.00 GAA (0.37) GAAADRB3KMT2AXIAPKCNH2
Formic Acid SCHEMBL3537527 0.97 GAA (0.35) GAAADRB3KMT2AXIAP
SCHEMBL3542684 0.84 XIAP (0.37) ADRB3XIAPNPC1RAB9ASMN1; SMN2
SCHEMBL13314796 0.84 XIAP (0.37) ADRB3XIAPNPC1RAB9ASMN1; SMN2
Formic Acid SCHEMBL3540804 0.82 XIAP (0.35) ADRB3XIAPNPC1RAB9ASMN1; SMN2
SCHEMBL3541027 0.81 XIAP (0.40) GAAADRB3XIAPNPC1RAB9A
SCHEMBL13314795 0.81 XIAP (0.40) GAAADRB3XIAPNPC1RAB9A
SCHEMBL3536953 0.81 XIAP (0.36) GAAADRB3KMT2AXIAPNPC1
SCHEMBL13314793 0.81 F2 (0.44) GAAADRB3XIAPNPC1RAB9A
SCHEMBL3536190 0.81 F2 (0.44) GAAADRB3XIAPNPC1RAB9A

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 4 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
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

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 GAA 1530/4885ADRB3 144/4885KMT2A 2856/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GAA 3164/4885ADRB3 403/4885KMT2A 632/4885

“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.