SCHEMBL4149486

SCHEMBL4149486

CSc1ccc(Oc2ccc(Br)cc2CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.65
SLC6A2 P23975 6/20 0.65
SLC6A3 Q01959 5/20 0.65
HRH3 Q9Y5N1 2/20 0.55
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NCEH1 Q6PIU2 1/20 0.36

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
SCHEMBL6152065 0.86 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL2881204 0.83 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6946108 0.80 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL18719607 0.78 POLB (0.43) SLC6A4SLC6A2HTR2APOLBMEN1
SCHEMBL13109374 0.78 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL4011059 0.78 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL20054017 0.77 POLB (0.42) SLC6A4SLC6A2HTR2APOLBMEN1
SCHEMBL31163069 0.77 POLB (0.42) SLC6A4SLC6A2HTR2APOLBMEN1
SCHEMBL2884008 0.77 HPGD (0.43) SLC6A4POLBMEN1KMT2ANCEH1
SCHEMBL29211248 0.76 ALDH1A1 (0.43) SLC6A4POLBMEN1KMT2A

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 8/4885SLC6A2 17/4885SLC6A3 27/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 SLC6A4 8/4885SLC6A2 17/4885SLC6A3 27/4885

“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.