SCHEMBL978455

SCHEMBL978455

Nc1ccccc1C(O)CNCc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.58
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
PPARG P37231 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5631220 0.87 MEN1 (0.52) OPRK1KMT2AMEN1ALDH1A1PLA2G1B
SCHEMBL981084 0.78 OPRK1 (0.52) OPRK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL978214 0.78 ADRB3 (0.41) OPRK1KMT2AMEN1LMNAMAPT
SCHEMBL4033029 0.74 PYCR1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3355660 0.72 OPRK1 (0.50) OPRK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL979064 0.72 SLC6A2 (0.52) CYP2D6
SCHEMBL14656662 0.71 HTT (0.65) OPRK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL23545724 0.70 HTT (0.57) OPRK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL28837907 0.70 MEN1 (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL13276377 0.69 OPRK1 (0.67) OPRK1KMT2AMEN1CYP1A2CYP3A4

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 11 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
CN-101184488-A Substituted 4-phenyltetrahydroisoquinolines, methods for producing them, their use as drug, and drug containing them SANOFI AVENTIS DEUTSCHLAND (FR) 2008-05-21 CN 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 OPRK1 68/4885KMT2A 203/4885MEN1 3172/4885

“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.