SCHEMBL4014518

SCHEMBL4014518

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.47
HRH3 Q9Y5N1 6/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR2A P28223 6/20 0.42
KCNH2 Q12809 6/20 0.42
SOS1 Q07889 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL3947165 0.81 SLC6A4 (0.68) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL4013399 0.81 HRH3 (0.46) SLC6A4HRH3SLC6A2SLC6A3SOS1
SCHEMBL4028648 0.79 SLC6A4 (0.48) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL11955710 0.79 MAPT (0.59) HRH3MAPTKDM4EALDH1A1PKM
SCHEMBL3941094 0.78 SLC6A4 (0.67) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL7460955 0.71 SLC6A2 (0.44) SLC6A4HRH3SLC6A2SLC6A3MAPT
SCHEMBL7463737 0.71 SLC6A2 (0.43) SLC6A4HRH3SLC6A2SLC6A3HTR2A
SCHEMBL10130719 0.70 MAPT (0.53) HRH3MAPTKDM4EALDH1A1PKM
SCHEMBL11473295 0.69 ADRB1 (0.69) SLC6A4HTR2AMAPTSMN1; SMN2LMNA
SCHEMBL25758199 0.69 MAPT (0.55) MAPTKDM4EALDH1A1PKMSMN1; SMN2

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