SCHEMBL3395165

SCHEMBL3395165

CCCCCCCc1c(C2CCCC2)cc(N)c(C2CCCC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.42
CNR2 P34972 12/20 0.42
SPHK1 Q9NYA1 1/20 0.34
CCR5 P51681 2/20 0.32
RBP1 P09455 1/20 0.32
CHEK1 O14757 1/20 0.31
SRC P12931 1/20 0.31
HTR2A P28223 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
SCHEMBL3399153 0.99 CNR1 (0.43) CNR1CNR2SPHK1CCR5RBP1
SCHEMBL3425824 0.94 CNR1 (0.38) CNR1CNR2CHEK1HTR2A
SCHEMBL3395275 0.93 CNR1 (0.39) CNR1CNR2CHEK1HTR2A
SCHEMBL3425615 0.88 CNR1 (0.34) CNR1CNR2HTR2A
SCHEMBL3424739 0.87 CNR1 (0.35) CNR1CNR2CHEK1HTR2A
SCHEMBL3392968 0.84 CNR1 (0.33) CNR1CNR2HTR2A
SCHEMBL3425985 0.82 CNR1 (0.35) CNR1CNR2CHEK1HTR2A
SCHEMBL3424937 0.81 CNR1 (0.39) CNR1CNR2SPHK1CCR5RBP1
SCHEMBL3400188 0.79 CNR1 (0.40) CNR1CNR2SPHK1CCR5
SCHEMBL3397285 0.75 LNPEP (0.31) HTR2A

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
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 1027/4885SPHK1 2737/4885

“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.