SCHEMBL1231964

SCHEMBL1231964

CCCCCC(C)(O)Nc1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.40
TLR7 Q9NYK1 3/20 0.40
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
FDPS P14324 1/20 0.33
ALOX12 P18054 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL24748307 0.81 TLR8 (0.45) TLR8TLR7NPC1TSHRALOX12
SCHEMBL19852767 0.81 TLR8 (0.45) TLR8TLR7NPC1TSHRALOX12
SCHEMBL21017157 0.79 TLR8 (0.42) TLR8TLR7NPC1TSHRALOX12
SCHEMBL23697921 0.79 TLR8 (0.44) TLR8TLR7NPC1TSHRALOX12
SCHEMBL22436132 0.78 TLR8 (0.43) TLR8TLR7NPC1TSHRALOX12
SCHEMBL21162636 0.77 TLR8 (0.37) TLR8TLR7NPC1TSHRGAA
SCHEMBL11780152 0.71 KDM4E (0.36) TLR8TLR7NPC1GAAFDPS
SCHEMBL20047833 0.68 TLR8 (0.35) TLR8TLR7NPC1ALOX12CNR1
SCHEMBL20048038 0.68 CNR2 (0.39) TLR8TLR7NPC1ALOX12CNR1
SCHEMBL23612391 0.67 ALDH1A1 (0.46) NPC1TSHRFDPSLMNAHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 US disclosed
WO-2011022348-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-02-24 WO disclosed
EP-2254415-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-12-01 EP disclosed
EP-2254415-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-12-01 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 WO disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 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-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE FAAH, FAAH2, APEH TLR8 1920/4885TLR7 1871/4885NPC1 2306/4885
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 TLR8 1402/4885TLR7 1116/4885NPC1 2674/4885

“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.