SCHEMBL1499472

SCHEMBL1499472

CCCCc1c(N)c(C2CCCCC2)c(N)c(CCCC)c1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.38
CNR2 P34972 10/20 0.38
TLR7 Q9NYK1 1/20 0.35
CYP1A2 P05177 1/20 0.35
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 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
SCHEMBL3395246 0.98 CNR1 (0.36) CNR1CNR2TLR7CYP1A2NOS1
SCHEMBL3400188 0.93 CNR1 (0.40) CNR1CNR2TLR7CYP1A2
SCHEMBL1499215 0.92 CNR1 (0.35) CNR1CNR2TLR7CYP1A2NOS1
SCHEMBL3424937 0.91 CNR1 (0.39) CNR1CNR2TLR7NOS1NOS2
SCHEMBL3399225 0.89 EPHX2 (0.34) CNR1CNR2NOS1NOS2NOS3
SCHEMBL3394722 0.87 GABRA1 (0.33) CNR1CNR2NOS1NOS2NOS3
SCHEMBL1499188 0.86 CNR1 (0.36) CNR1CNR2TLR7CYP1A2NOS1
SCHEMBL19119325 0.85 CNR1 (0.38) CNR1CNR2TLR7
SCHEMBL3426325 0.84 CNR1 (0.35) CNR1CNR2TLR7CYP1A2NOS1
SCHEMBL19119094 0.83 GABRA1 (0.32) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP claimed
JP-2011506453-A 2011-03-03 JP claimed
CN-101896585-A Alkylated 1, 3-phenylenediamine compound and process for producing the same CHEMTURA CORP 2010-11-24 CN claimed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP claimed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO claimed
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 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 (1 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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 CNR1 1089/4885CNR2 1027/4885TLR7 3307/4885

“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.