SCHEMBL3944807

SCHEMBL3944807

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.48
HTR2A P28223 15/20 0.48
KCNH2 Q12809 12/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SOS1 Q07889 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL7112299 0.87 SLC6A4 (0.65) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL29211268 0.87 ALDH1A1 (0.39) SLC6A4ALDH1A1
SCHEMBL2881204 0.85 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3946409 0.84 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4019396 0.84 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7107218 0.82 HTR2A (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5912958 0.81 NR3C1 (0.39) SLC6A4ALDH1A1
SCHEMBL7106388 0.77 SLC6A4 (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5912979 0.76 HTR2C (0.36) SLC6A4HTR2AALDH1A1
SCHEMBL7110329 0.76 SLC6A4 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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.