SCHEMBL4013399

SCHEMBL4013399

[CH2]c1cc(N2CCN(C3CC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HIF1A Q16665 1/20 0.40
SOS1 Q07889 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX12 P18054 1/20 0.39
ADRB1 P08588 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL4014518 0.81 SLC6A4 (0.47) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL4019960 0.80 SLC6A4 (0.68) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3942750 0.77 SLC6A4 (0.68) HRH3SLC6A4SLC6A2SLC6A3
SCHEMBL3941657 0.76 HRH3 (0.48) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL4164299 0.75 SLC6A4 (0.46) HRH3SLC6A4SLC6A2SLC6A3SOS1
SCHEMBL7460955 0.71 SLC6A2 (0.44) HRH3SLC6A4SLC6A2SLC6A3HIF1A
SCHEMBL7463737 0.71 SLC6A2 (0.43) HRH3SLC6A4SLC6A2SLC6A3HIF1A
SCHEMBL11473295 0.69 ADRB1 (0.69) SLC6A4LMNAHTTMAPTSMN1; SMN2
SCHEMBL5544824 0.65 HTR2A (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL11468731 0.64 ADRB1 (0.56) SLC6A4ALDH1A1MAPTADRB1

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 3 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-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

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 HRH3 1/4885SLC6A4 8/4885SLC6A2 17/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HRH3 1/4885SLC6A4 8/4885SLC6A2 17/4885

“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.