SCHEMBL8282811

SCHEMBL8282811

COCCCN1CCOc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.60
SLC6A4 P31645 1/20 0.60
TSHR P16473 5/20 0.58
REN P00797 1/20 0.50
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 1/20 0.47
NOTUM Q6P988 1/20 0.43
GRM5 P41594 2/20 0.43
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL11212676 0.91 TSHR (0.61) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL24398528 0.86 TSHR (0.56) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL2315171 0.83 TSHR (0.53) HTR1ASLC6A4TSHRKCNH2KMT2A
SCHEMBL9247991 0.82 HTR1A (0.56) HTR1ASLC6A4TSHRKCNH2KMT2A
SCHEMBL91287 0.82 REN (0.55) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL1083640 0.81 REN (0.54) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL8263807 0.81 REN (0.60) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL27796813 0.81 REN (0.49) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL17525514 0.81 REN (0.52) HTR1ASLC6A4TSHRRENKCNH2
SCHEMBL5710197 0.81 REN (0.54) HTR1ASLC6A4TSHRRENKCNH2

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 16 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-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-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-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
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
US-20070066582-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
US-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
US-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
EP-1764099-A2 Diaminoalcohol derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP disclosed
EP-1764098-A1 Diaminoalcohols derivatives for the treatment of Alzheimer, malaria, HIV Speedel Experimenta AG (CH) 2007-03-21 EP disclosed
WO-2005090305-A1 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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 (4 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-20070066604-A1 Diaminoalcohols as therapeutic compounds CTSD, FURIN, CTSL HTR1A 3984/4885SLC6A4 2643/4885TSHR 4351/4885
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 HTR1A 202/4885SLC6A4 2264/4885TSHR 1124/4885
US-20070066582-A1 Diaminoalcohols as therapeutic compounds CTSD, CTSL, CTSC HTR1A 3232/4885SLC6A4 3493/4885TSHR 3964/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C HTR1A 887/4885SLC6A4 1119/4885TSHR 817/4885

“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.