SCHEMBL3400199

SCHEMBL3400199

CC(C)CC(C)c1c(N)ccc(Cc2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ELANE P08246 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
ALOX5 P09917 1/20 0.33
CALM1 P0DP23 1/20 0.33

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
SCHEMBL3424670 0.86 BCL2 (0.38) HTR2AL3MBTL1SLC6A2TAAR1MAOA
SCHEMBL3423970 0.81 LNPEP (0.39) HTR2AL3MBTL1SLC6A2TAAR1MAOA
SCHEMBL4538166 0.78 POLB (0.32)
SCHEMBL3427006 0.78 GABRA1 (0.34)
SCHEMBL3425268 0.77 POLB (0.34)
SCHEMBL3425705 0.76 FBP1 (0.31)
SCHEMBL28045057 0.75 ALDH1A1 (0.33) TAAR1
SCHEMBL31257130 0.74 CALM1 (0.46) HTR2ABCL2BCL2L1ALOX5CALM1
SCHEMBL3396572 0.73 SKP2 (0.37) ELANE
SCHEMBL10845366 0.73 HTR2A (0.41) HTR2ABCL2BCL2L1ALOX5CALM1

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 HTR2A 1470/4885L3MBTL1 2215/4885SLC6A2 3615/4885

“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.