SCHEMBL980297

SCHEMBL980297

CC(=O)Nc1ccccc1C(O)CN(C)Cc1ccc(Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.43
CRHR1 P34998 1/20 0.38
LMNA P02545 2/20 0.38
KCNQ2 O43526 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PARP14 Q460N5 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LPAR1 Q92633 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
CXCR2 P25025 1/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
PDE7A Q13946 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL4034490 0.89 LMNA (0.45) PYCR1CRHR1LMNAKCNQ2PARP14
SCHEMBL978212 0.80 PYCR1 (0.48) PYCR1MEN1KMT2AKDM4ETSHR
SCHEMBL980298 0.79 LMNA (0.46) CRHR1LMNAPARP14LPAR1MEN1
SCHEMBL977667 0.79 PYCR1 (0.44) PYCR1LMNAF2F10MAPT
SCHEMBL979107 0.76 SLC6A2 (0.51) LMNALPAR1NPC1RAB9A
SCHEMBL981084 0.72 OPRK1 (0.52) LMNAMAPTL3MBTL1MEN1KMT2A
SCHEMBL1718726 0.71 HTT (0.46) PYCR1LMNAMAPTMEN1KMT2A
SCHEMBL5629271 0.70 LMNA (0.55) LMNAL3MBTL1MEN1KMT2A
SCHEMBL2568962 0.70 HTT (0.52) PYCR1LMNAF2F10MAPT
SCHEMBL4033029 0.69 PYCR1 (0.46) PYCR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP disclosed
EP-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 US disclosed
EP-1838315-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM sanofi-aventis (FR) 2007-10-03 EP disclosed
WO-2006074813-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI-AVENTIS (DE) 2006-07-20 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 (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-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE REN, MTNR1B, MTNR1A PYCR1 87/4885CRHR1 186/4885LMNA 1462/4885

“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.