SCHEMBL4034490

SCHEMBL4034490

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PYCR1 P32322 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
KCNQ2 O43526 1/20 0.38
PARP14 Q460N5 1/20 0.38
CRHR1 P34998 1/20 0.37

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
SCHEMBL980297 0.89 PYCR1 (0.43) LMNAPYCR1KCNQ2PARP14CRHR1
SCHEMBL979107 0.85 SLC6A2 (0.51) LMNACYP2D6GAASLC6A2SLC6A4
SCHEMBL1718726 0.81 HTT (0.46) LMNAHTTNPSR1PYCR1GAA
SCHEMBL2568962 0.80 HTT (0.52) LMNAHTTNPSR1PYCR1GAA
SCHEMBL981084 0.80 OPRK1 (0.52) LMNAHTTCYP1A2CYP3A4CYP2D6
SCHEMBL4033029 0.79 PYCR1 (0.46) HTTNPSR1PYCR1CYP1A2CYP3A4
SCHEMBL5629271 0.78 LMNA (0.55) LMNATDP1GAA
SCHEMBL4031996 0.78 HTT (0.49) LMNAHTTNPSR1PYCR1CYP1A2
SCHEMBL4027414 0.76 MEN1 (0.50) HTTNPSR1PYCR1CYP1A2CYP3A4
SCHEMBL980298 0.70 LMNA (0.46) LMNAPARP14CRHR1LPAR1KDM4E

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 9 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
EP-1613600-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS Sanofi-Aventis Deutschland GmbH (DE) 2006-01-11 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-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
WO-2004085404-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE OF THE SAME AS MEDICAMENTS, AND MEDICAMENT CONTAINING SUCH COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-10-07 WO 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 LMNA 1107/4885HTT 1557/4885NPSR1 993/4885
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 LMNA 906/4885HTT 865/4885NPSR1 662/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 LMNA 1111/4885HTT 1545/4885NPSR1 1230/4885

“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.