SCHEMBL3353692

SCHEMBL3353692

Nc1ccc2c(c1)CN(C(=O)C(F)(F)F)CCC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.60
ESR2 Q92731 5/20 0.60
NR1H2 P55055 1/20 0.52
RIPK1 Q13546 3/20 0.49
BRD4 O60885 1/20 0.45
ATAD2 Q6PL18 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PKM P14618 1/20 0.44
ABHD6 Q9BV23 4/20 0.41
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GPR142 Q7Z601 1/20 0.37
HSD17B3 P37058 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 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
SCHEMBL1641841 0.92 ESR1 (0.72) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL29754116 0.92 ESR1 (0.72) ESR1ESR2NR1H2HDAC6PKM
Hydrochloric Acid SCHEMBL1639774 0.90 ESR1 (0.70) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL4951368 0.89 ESR1 (0.49) ESR1ESR2NR1H2RIPK1BRD4
SCHEMBL4179872 0.86 ESR2 (0.72) ESR1ESR2NR1H2HDAC6PKM
SCHEMBL5913288 0.85 ESR1 (0.54) ESR1ESR2NR1H2HDAC6ABHD6
SCHEMBL29986831 0.85 ESR1 (0.54) ESR1ESR2NR1H2HDAC6ABHD6
SCHEMBL25198788 0.83 ESR1 (0.64) ESR1ESR2RIPK1HDAC6PKM
SCHEMBL30411916 0.83 ESR1 (0.64) ESR1ESR2RIPK1HDAC6PKM
SCHEMBL17797666 0.82 NR1H2 (0.53) ESR1ESR2NR1H2RIPK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 US disclosed
EP-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 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-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease HTR6, HTR3B, HTR5A ESR1 3228/4885ESR2 4162/4885NR1H2 1351/4885

“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.