SCHEMBL3353793

SCHEMBL3353793

Nc1ccc2c(c1)CN(CCF)CCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
APP P05067 1/20 0.37
RIPK1 Q13546 3/20 0.35
PTGER2 P43116 1/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CREBBP Q92793 2/20 0.33
PKM P14618 3/20 0.33
NR1H2 P55055 1/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL4954882 0.87 MAPT (0.44) MAPTLMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2061673 0.82 REN (0.38) MAPTKDM4EGAAAPPRIPK1
SCHEMBL3355185 0.78 PIK3CD (0.41) MAPTLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1950203 0.77 KDM4E (0.42) MAPTKDM4EGAALMNANPC1
Hydrochloric Acid SCHEMBL7481044 0.76 KDM4E (0.45) MAPTKDM4EGAALMNANPC1
SCHEMBL7485284 0.71 KDM4E (0.39) MAPTKDM4EGAARIPK1LMNA
SCHEMBL2062121 0.69 NR1H2 (0.38) NR1H2
SCHEMBL3355514 0.69 RIPK1 (0.54) RIPK1PKM
SCHEMBL20867781 0.68 KDM4E (0.59) MAPTKDM4EGAALMNANPC1
SCHEMBL379230 0.67 PRKCI (0.56) MAPTKDM4EGAALMNANPC1

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 MAPT 87/4885KDM4E 3840/4885GAA 245/4885

“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.