SCHEMBL702690

SCHEMBL702690

CN(C)C1=NCC(c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TERT O14746 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.36
NPBWR1 P48145 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CA P42336 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
SCHEMBL701530 0.84 TERT (0.39) HTR2AHTR2CHTR2BHRH3TERT
SCHEMBL701484 0.83 MEN1 (0.38) HTR2AHTR2CHTR2BHRH3TERT
SCHEMBL702297 0.83 MAPT (0.36) HTR2AHTR2CHTR2BHRH3TERT
SCHEMBL700407 0.83 TERT (0.37) HTR2AHTR2CHTR2BHRH3TERT
Hydrochloric Acid SCHEMBL702047 0.83 TERT (0.39) HTR2AHTR2CHTR2BHRH3TERT
Iodide SCHEMBL702558 0.82 TERT (0.36) HTR2AHTR2CHTR2BHRH3TERT
SCHEMBL10064056 0.74 AR (0.34) MEN1KMT2A
SCHEMBL701274 0.69 MEN1 (0.39) HTR2AHTR2CHTR2BHRH3TERT
SCHEMBL4658992 0.66 HTR2A (0.46) HTR2AHTR2CHTR2BHRH3MEN1
SCHEMBL15679174 0.65 TERT (0.39) TERTMEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124621-B2 Substituted 1-amino-4-phenyl-dihydroisoquinolines, methods for the production thereof, use thereof as a medicament, and medicaments containing them SANOFI-AVENTIS (FR) 2012-02-28 US disclosed
EP-1999113-B1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI AVENTIS (FR) 2009-08-19 EP disclosed
US-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (FR) 2009-05-07 US disclosed
EP-1999113-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM Sanofi-Aventis (FR) 2008-12-10 EP disclosed
WO-2007107245-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-09-27 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-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM NDUFAB1, ABCB11, SLC10A1 HTR2A 1053/4885HTR2C 556/4885HTR2B 426/4885

“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.