SCHEMBL1037181

SCHEMBL1037181

OCCCOc1cccc(CNCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.67
DRD4 P21917 2/20 0.58
DRD2 P14416 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD3 P35462 1/20 0.58
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
PPARG P37231 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL3684546 0.92 BCHE (0.69) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL10809172 0.84 BCHE (0.67) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL1033919 0.83 POLB (0.48) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL30821653 0.82 BCHE (0.67) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL21634272 0.82 BCHE (0.67) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL23120424 0.81 BCHE (0.77) BCHEKDM4EMAPK1SMN1; SMN2ALDH1A1
SCHEMBL21634316 0.81 BCHE (0.63) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL1032677 0.80 POLB (0.46) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL19647502 0.80 TSHR (0.51) KDM4EMAPK1SMN1; SMN2ALDH1A1CYP4F2
SCHEMBL1032688 0.79 CASR (0.56) BCHESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 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-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 BCHE 427/4885DRD4 440/4885DRD2 208/4885

“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.