SCHEMBL3538338

SCHEMBL3538338

CC(C)CCNC(=O)C1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
NPC1 O15118 7/20 0.47
MAPT P10636 7/20 0.40
ALDH1A1 P00352 7/20 0.40
TP53 P04637 5/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13314812 1.00 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
Formic Acid SCHEMBL3603162 0.96 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3533425 0.89 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13314816 0.89 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13314905 0.84 RAB9A (0.52) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6208532 0.83 RAB9A (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13314888 0.83 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13314811 0.81 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3534831 0.81 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL3538335 0.80 ADRA2A (0.41) RAB9ASMN1; SMN2NPC1MAPTTP53

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 5 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
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 RAB9A 4051/4885SMN1; SMN2 399/4885NPC1 3023/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 RAB9A 3671/4885SMN1; 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.