SCHEMBL4170424

SCHEMBL4170424

CC(C)(C)OC(=O)NCCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.56
SLC6A4 P31645 11/20 0.56
KCNH2 Q12809 9/20 0.56
AAK1 Q2M2I8 2/20 0.45
IDO1 P14902 2/20 0.41
NQO2 P16083 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3952253 0.89 SLC6A4 (0.64) HTR2ASLC6A4KCNH2AAK1
SCHEMBL2547551 0.80 IDO1 (0.52) AAK1IDO1NQO2KDM4EMEN1
SCHEMBL2881204 0.79 SLC6A4 (0.55) HTR2ASLC6A4KCNH2
SCHEMBL2552330 0.75 AAK1 (0.50) AAK1IDO1NQO2KDM4EMEN1
SCHEMBL2520675 0.75 AAK1 (0.46) AAK1IDO1HPGDSMN1; SMN2
SCHEMBL31142926 0.75 AAK1 (0.46) AAK1IDO1HPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL3942675 0.74 SLC6A4 (0.71) HTR2ASLC6A4KCNH2
SCHEMBL4930587 0.74 AAK1 (0.48) AAK1IDO1NQO2ALDH1A1HPGD
SCHEMBL29888968 0.74 NQO2 (0.50) AAK1IDO1NQO2KDM4EMEN1
SCHEMBL25834169 0.73 TSHR (0.54) IDO1NQO2KDM4EMEN1ALDH1A1

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 2 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
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 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 (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 HTR2A 15/4885SLC6A4 8/4885KCNH2 1234/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HTR2A 15/4885SLC6A4 8/4885KCNH2 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.