SCHEMBL3536883

SCHEMBL3536883

CCOC(=O)C1(c2ccccc2)CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
OPRD1 P41143 6/20 0.43
OPRK1 P41145 5/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC9 Q9UKV0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13314823 1.00 OPRM1 (0.43) OPRM1LMNAPOLBMAPTOPRD1
SCHEMBL6212551 0.83 PARP1 (0.38) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL3537267 0.77 ALDH1A1 (0.37) LMNAPOLBMAPTHDAC9MEN1
Formic Acid SCHEMBL3535197 0.75 ALDH1A1 (0.36) LMNAPOLBMAPTHDAC9MEN1
SCHEMBL3537885 0.73 ALDH1A1 (0.34) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL13314825 0.73 ALDH1A1 (0.34) LMNAPOLBMAPTMEN1KMT2A
Bromide SCHEMBL3538791 0.72 ALDH1A1 (0.33) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL13314864 0.71 TMIGD3 (0.38) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL3543197 0.71 TMIGD3 (0.38) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL3537276 0.70 PDK1 (0.50) LMNAMAPTMEN1KMT2ATDP1

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 OPRM1 15/4885LMNA 2988/4885POLB 3270/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 OPRM1 124/4885LMNA 866/4885POLB 2406/4885

“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.