SCHEMBL1032677

SCHEMBL1032677

CC(C)(C)NCc1cccc(OCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 3/20 0.43
GGPS1 O95749 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.40
GLS O94925 1/20 0.40
SCN8A Q9UQD0 1/20 0.40

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
SCHEMBL1033919 0.84 POLB (0.48) POLBDRD2DRD4ADRA1DADRA1A
SCHEMBL17788595 0.83 KDM4E (0.49) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL17788594 0.81 SMN1; SMN2 (0.52) KDM4EBCHEALDH1A1MAPK1
SCHEMBL1037181 0.80 BCHE (0.67) POLBDRD2DRD4ADRA1DADRA1A
SCHEMBL13849636 0.79 POLB (0.62) POLBKDM4EGGPS1CYP4F2CYP4A11
SCHEMBL10245314 0.79 CHRM2 (0.57) BCHEALDH1A1SCN8A
SCHEMBL19647502 0.79 TSHR (0.51) POLBKDM4EGGPS1CYP4F2CYP4A11
SCHEMBL13958937 0.78 BCHE (0.69) KDM4ECYP4F2CYP4A11BCHEALDH1A1
SCHEMBL12933252 0.77 HDAC4 (0.45) DRD2DRD3KDM4EBCHEALDH1A1
SCHEMBL1240006 0.76 ALDH1A1 (0.48) POLBDRD2DRD4ADRA1DADRA1A

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 POLB 4060/4885DRD2 208/4885DRD4 440/4885

“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.