SCHEMBL4026958

SCHEMBL4026958

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(NC(=O)c3cccnc3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SLC9A3 P48764 9/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4032420 0.91 SLC9A3 (0.60) SLC9A3
SCHEMBL4025753 0.90 SLC9A3 (0.53) SLC9A3
SCHEMBL13449799 0.86 SLC9A3 (0.53) SLC9A3
SCHEMBL4029734 0.85 SLC9A3 (0.51) SLC9A3
SCHEMBL13285852 0.85 SLC9A3 (0.51) SLC9A3
SCHEMBL13449798 0.84 SLC9A3 (0.50) SLC9A3
SCHEMBL4032049 0.84 SLC9A3 (0.51) SLC9A3
SCHEMBL13449797 0.83 SLC9A3 (0.57) SLC9A3
SCHEMBL2576031 0.82 SLC9A3 (0.54) SLC9A3
SCHEMBL4031638 0.82 SLC9A3 (0.56) SLC9A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US claimed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 US claimed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US disclosed
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 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 (2 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-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 NPC1 15/4885RAB9A 620/4885L3MBTL1 546/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 NPC1 15/4885RAB9A 624/4885L3MBTL1 424/4885

“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.