SCHEMBL3944201

SCHEMBL3944201

CN(Cc1cc(CN2CCNC(=O)C2)ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.44
HTR2A P28223 5/20 0.44
SCN9A Q15858 3/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
THRB P10828 2/20 0.37
MCHR1 Q99705 1/20 0.37
PLK1 P53350 1/20 0.35
SOS1 Q07889 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34

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
SCHEMBL4011831 0.86 SLC6A4 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3946409 0.80 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4019396 0.80 HTR2A (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4019345 0.79 HRH3 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL2881204 0.77 SLC6A4 (0.55) SLC6A4HTR2APOLBKCNH2SLC6A2
SCHEMBL7110329 0.75 SLC6A4 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7112299 0.75 SLC6A4 (0.65) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4360161 0.75 FAAH (0.36) SCN9AALDH1A1POLBKCNH2THRB
SCHEMBL7106388 0.74 SLC6A4 (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3944807 0.73 SLC6A4 (0.48) SLC6A4HTR2AALDH1A1KCNH2SLC6A2

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 15/4885SCN9A 1465/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 SLC6A4 8/4885HTR2A 15/4885SCN9A 1465/4885

“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.