SCHEMBL4031996

SCHEMBL4031996

CC(=O)Nc1ccccc1C(=O)CN(C)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PYCR1 P32322 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL977667 0.89 PYCR1 (0.44) HTTNPSR1LMNAALDH1A1NPC1
SCHEMBL2573252 0.79 HTT (0.59) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL2572182 0.78 HTT (0.51) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL4034490 0.78 LMNA (0.45) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL5628156 0.77 LMNA (0.57) NPSR1LMNAGAANPC1RAB9A
SCHEMBL2568818 0.71 HTT (0.49) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL2568938 0.71 HTT (0.47) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL20404453 0.71 HTT (0.47) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL2572180 0.69 FSCN1 (0.43) HTTNPSR1LMNAALDH1A1GAA
SCHEMBL977669 0.69 LMNA (0.48) HTTLMNAALDH1A1NPC1RAB9A

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-1613600-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2015-12-23 EP disclosed
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-7241775-B2 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-10 US 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-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 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 (3 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 HTT 1557/4885NPSR1 993/4885LMNA 1107/4885
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 HTT 865/4885NPSR1 662/4885LMNA 906/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 HTT 1545/4885NPSR1 1230/4885LMNA 1111/4885

“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.