SCHEMBL1033735

SCHEMBL1033735

CN(CC(=O)c1ccc(OC(F)(F)F)cc1)Cc1cccc(OCCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ACHE P22303 9/20 0.43
CD274 Q9NZQ7 1/20 0.43
BCHE P06276 5/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPK14 Q16539 1/20 0.41
SLC2A1 P11166 1/20 0.40
TRPM8 Q7Z2W7 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
SCHEMBL1035892 0.87 SLC2A1 (0.49) ALDH1A1ACHEBCHESLC2A1
SCHEMBL1036749 0.86 KDM4E (0.48) KDM4EALDH1A1ACHECD274BCHE
SCHEMBL1037264 0.85 SLC2A1 (0.47) KDM4EALDH1A1ACHECD274BCHE
SCHEMBL1032923 0.83 ACHE (0.43) KDM4EALDH1A1ACHECD274BCHE
SCHEMBL1037998 0.82 ACHE (0.42) ACHECD274BCHE
SCHEMBL1035774 0.82 MAOB (0.45) ACHECD274BCHEMRGPRX4
SCHEMBL1039110 0.81 SIGMAR1 (0.51) KDM4EALDH1A1ACHEBCHE
SCHEMBL1038530 0.81 ACHE (0.47) KDM4EALDH1A1ACHECD274BCHE
SCHEMBL5992516 0.80 KDM4E (0.47) KDM4EACHECD274BCHE
SCHEMBL1035600 0.78 SMN1; SMN2 (0.45) ALDH1A1ACHECD274BCHE

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 KDM4E 2643/4885ALDH1A1 2450/4885ACHE 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.