SCHEMBL3536088

SCHEMBL3536088

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.40
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.32
MAPK1 P28482 2/20 0.32
USP2 O75604 2/20 0.32
ADRB3 P13945 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL13314800 1.00 XIAP (0.40) XIAPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3543834 0.84 XIAP (0.33) XIAPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13314801 0.84 XIAP (0.33) XIAPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3536953 0.83 XIAP (0.36) XIAPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13314795 0.82 XIAP (0.40) XIAPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3541027 0.82 XIAP (0.40) XIAPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6209697 0.81 TSHR (0.34) XIAPSMN1; SMN2NPC1RAB9AMAPT
Formic Acid SCHEMBL3598996 0.81 XIAP (0.36) XIAPTSHRADRB3
SCHEMBL13314806 0.80 MAPT (0.33) XIAPSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3536640 0.80 MAPT (0.33) XIAPSMN1; SMN2NPC1RAB9AALDH1A1

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 XIAP 3138/4885SMN1; SMN2 399/4885NPC1 3023/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 XIAP 4775/4885SMN1; SMN2 1337/4885NPC1 1533/4885

“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.