SCHEMBL3946409

SCHEMBL3946409

CN(Cc1cc(CCl)ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.56
SLC6A4 P31645 15/20 0.56
KCNH2 Q12809 12/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDK8 P49336 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
SOS1 Q07889 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
SCHEMBL4019396 0.92 HTR2A (0.56) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL7112299 0.86 SLC6A4 (0.65) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2881204 0.86 SLC6A4 (0.55) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3944807 0.84 SLC6A4 (0.48) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL7107218 0.82 HTR2A (0.46) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL3944201 0.80 SLC6A4 (0.44) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL7110329 0.79 SLC6A4 (0.43) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4011831 0.78 SLC6A4 (0.43) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL4019345 0.78 HRH3 (0.43) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL7106388 0.77 SLC6A4 (0.41) HTR2ASLC6A4KCNH2SLC6A2SLC6A3

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 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.