SCHEMBL4028602

SCHEMBL4028602

CC(=O)Nc1ccc(C(O)CNCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.57
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CNR1 P21554 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
NLRP1 Q9C000 1/20 0.42
GAA P10253 1/20 0.42
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
SCHEMBL6767703 0.88 CNR1 (0.53) OPRK1MEN1KMT2AHTTLMNA
SCHEMBL2568962 0.79 HTT (0.52) MEN1KMT2AHTTLMNAMAPT
SCHEMBL981084 0.79 OPRK1 (0.52) OPRK1MEN1KMT2AHTTLMNA
SCHEMBL4032355 0.78 MEN1 (0.57) MEN1KMT2AHTTLMNAMAPT
SCHEMBL6318456 0.72 TDP1 (0.58) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL11558906 0.71 MAPT (0.65) MEN1KMT2AHTTLMNAMAPT
SCHEMBL23032939 0.70 KMT2A (0.52) MEN1KMT2AHTTLMNAMAPT
SCHEMBL6529545 0.70 LMNA (0.60) MEN1KMT2AHTTLMNAMAPT
SCHEMBL23545724 0.70 HTT (0.57) OPRK1MEN1KMT2AHTTLMNA
SCHEMBL13276377 0.70 OPRK1 (0.67) OPRK1MEN1KMT2AHTTLMNA

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
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
EP-1453810-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2004-09-08 EP 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
WO-2003048129-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-06-12 WO 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 OPRK1 907/4885MEN1 2959/4885KMT2A 3056/4885
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 OPRK1 451/4885MEN1 3067/4885KMT2A 2273/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 OPRK1 919/4885MEN1 3017/4885KMT2A 2664/4885

“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.