SCHEMBL3952253

SCHEMBL3952253

CC(C)(C)OC(=O)NCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.64
HTR2A P28223 15/20 0.64
KCNH2 Q12809 13/20 0.64
AAK1 Q2M2I8 1/20 0.44
EPAS1 Q99814 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL4170424 0.89 HTR2A (0.56) SLC6A4HTR2AKCNH2AAK1
SCHEMBL31142926 0.84 AAK1 (0.46) AAK1
SCHEMBL2520675 0.84 AAK1 (0.46) AAK1
SCHEMBL2881204 0.80 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3413974 0.80 ALDH1A1 (0.54)
SCHEMBL507690 0.79 AAK1 (0.49) AAK1
SCHEMBL2885537 0.79 SLC6A4 (1.00) SLC6A4HTR2AKCNH2HRH3
SCHEMBL30101803 0.78 ALDH1A1 (0.48) AAK1
SCHEMBL20869029 0.78 ALDH1A1 (0.48) AAK1
SCHEMBL31758898 0.77 DDR1 (0.45) AAK1

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-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
EP-2049473-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-22 EP disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 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-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 SLC6A4 8/4885HTR2A 15/4885KCNH2 1234/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 SLC6A4 8/4885HTR2A 15/4885KCNH2 1234/4885

“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.