SCHEMBL1036749

SCHEMBL1036749

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEP1B Q16820 1/20 0.46
ACHE P22303 9/20 0.43
BCHE P06276 5/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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) ALDH1A1ACHEBCHE
SCHEMBL1033735 0.86 KDM4E (0.44) KDM4EALDH1A1ACHEBCHEMRGPRX4
SCHEMBL1037264 0.85 SLC2A1 (0.47) KDM4EALDH1A1ACHEBCHECD274
SCHEMBL1032923 0.83 ACHE (0.43) KDM4EALDH1A1MEP1BACHEBCHE
SCHEMBL1037998 0.82 ACHE (0.42) MEP1BACHEBCHECD274
SCHEMBL1035774 0.82 MAOB (0.45) ACHEBCHEMRGPRX4CD274
SCHEMBL1039110 0.81 SIGMAR1 (0.51) KDM4EALDH1A1MEP1BACHEBCHE
SCHEMBL1038530 0.81 ACHE (0.47) KDM4EALDH1A1ACHEBCHECD274
SCHEMBL5992516 0.80 KDM4E (0.47) KDM4EMEP1BACHEBCHECD274
SCHEMBL1035600 0.78 SMN1; SMN2 (0.45) ALDH1A1ACHEBCHECD274

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 2450/4885MEP1B 2610/4885

“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.