SCHEMBL1035774

SCHEMBL1035774

CN(CC(=O)c1cccc(F)c1)Cc1cccc(OCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.44
ACHE P22303 7/20 0.43
BCHE P06276 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 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
SCHEMBL1039110 0.88 SIGMAR1 (0.51) MAOBMAOAACHEBCHEMEN1
SCHEMBL5992516 0.87 KDM4E (0.47) MAOBMAOAACHEBCHECD274
SCHEMBL1035892 0.83 SLC2A1 (0.49) ACHEBCHE
SCHEMBL1038530 0.83 ACHE (0.47) ACHEBCHECD274THRATHRB
SCHEMBL1037264 0.83 SLC2A1 (0.47) MAOBMAOAACHEBCHECD274
SCHEMBL1033735 0.82 KDM4E (0.44) ACHEBCHEMRGPRX4CD274
SCHEMBL1036749 0.82 KDM4E (0.48) ACHEBCHEMRGPRX4CD274
SCHEMBL1032923 0.82 ACHE (0.43) ACHEBCHECD274
SCHEMBL1037998 0.81 ACHE (0.42) ACHEBCHECD274KMT2A
SCHEMBL1035600 0.81 SMN1; SMN2 (0.45) ACHEBCHECD274MEN1KMT2A

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 MAOB 252/4885MAOA 286/4885ACHE 2621/4885

“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.