SCHEMBL3591647

SCHEMBL3591647

[CH2]c1ccc(N2CCN(C)CC2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.60
DRD3 P35462 2/20 0.60
DRD4 P21917 1/20 0.46
HRH2 P25021 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALDH1A3 P47895 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TNIK Q9UKE5 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HTR6 P50406 2/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL3594190 0.87 DRD2 (0.60) DRD2DRD3DRD4HRH2HRH3
SCHEMBL12466578 0.85 ALDH1A1 (0.58) DRD2DRD3DRD4HRH2ALDH1A1
SCHEMBL8360744 0.81 DRD2 (0.62) DRD2DRD3DRD4HRH2HRH3
SCHEMBL12082468 0.81 DRD2 (0.62) DRD2DRD3DRD4HRH2HRH3
SCHEMBL24518342 0.80 DRD2 (0.60) DRD2DRD3DRD4HRH2HRH3
SCHEMBL29517510 0.80 MAPT (0.61) DRD2DRD3DRD4HRH2HRH3
SCHEMBL2799605 0.80 DRD2 (0.60) DRD2DRD3DRD4HRH2HRH3
SCHEMBL189143 0.80 MAPT (0.61) DRD2DRD3DRD4HRH2HRH3
SCHEMBL7803381 0.80 L3MBTL1 (0.66) DRD2DRD3DRD4HRH2HRH3
SCHEMBL14924081 0.79 DRD2 (0.58) DRD2DRD3DRD4HRH2HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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 (1 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN DRD2 4782/4885DRD3 4637/4885DRD4 4609/4885

“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.