SCHEMBL1046830

SCHEMBL1046830

COCCCc1c[nH]c2cnc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.45
MTNR1A P48039 1/20 0.45
SLC6A4 P31645 4/20 0.40
HTR1A P08908 14/20 0.38
HTR1B P28222 9/20 0.37
HTR1D P28221 8/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16610221 0.89 MTNR1B (0.38) MTNR1BMTNR1ASLC6A4HTR1AHTR1B
SCHEMBL18080758 0.80 MTNR1B (0.39) MTNR1BMTNR1AHTR1AHTR1BHTR1D
SCHEMBL20476737 0.77 MTNR1A (0.43) MTNR1BMTNR1ASLC6A4HTR1AHTR1B
SCHEMBL13962815 0.77 SLC6A4 (0.66) MTNR1BMTNR1ASLC6A4HTR1AHTR1B
SCHEMBL1050599 0.75 MTNR1A (0.43) MTNR1BMTNR1ASLC6A4HTR1ACYP3A4
SCHEMBL8243663 0.74 HTR6 (0.47) SLC6A4HTR1A
SCHEMBL91364 0.72 HTR2A (0.63) MTNR1BMTNR1ASLC6A4HTR1AHTR1B
SCHEMBL20476417 0.72 HTR1A (0.42) SLC6A4HTR1AHTR1BHTR1DKDM4E
SCHEMBL13962824 0.71 SLC6A4 (0.66) MTNR1BMTNR1ASLC6A4HTR1AHTR1B
SCHEMBL1049675 0.71 ADRB2 (0.37) MTNR1BMTNR1AHTR1DKDM4ETP53

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-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-7851634-B2 5-amino 4-hydroxy-7-(1H-indolmethyl)-8-methylnonamide derivatives as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension NOVARTIS AG (CH) 2008-11-13 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
CN-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN 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 (2 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-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 MTNR1B 150/4885MTNR1A 162/4885SLC6A4 2264/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C MTNR1B 691/4885MTNR1A 1026/4885SLC6A4 1119/4885

“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.