SCHEMBL3357067

SCHEMBL3357067

CC(C)N1CCOc2c(Cl)cc([N+](=O)[O-])cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
LMNA P02545 5/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 3/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
GPR35 Q9HC97 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4949018 0.93 ALDH1A1 (0.37) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL4947251 0.92 ALDH1A1 (0.38) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL24826477 0.78 RIPK1 (0.32)
SCHEMBL3353090 0.78 HTR4 (0.33) KDM4EMAPTSMN1; SMN2GAA
SCHEMBL7479469 0.77 PIK3CD (0.42) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL2989704 0.76 RIPK1 (0.32) LMNAGAA
SCHEMBL15427979 0.75 ALDH1A1 (0.48) ALDH1A1LMNATDP1MAPTSMN1; SMN2
SCHEMBL2991734 0.72 NOTUM (0.43) NPSR1
Hydrochloric Acid SCHEMBL11496417 0.70 ALDH1A1 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL30561509 0.68 PNMT (0.47) ALDH1A1LMNAKDM4ETDP1MAPT

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 1 patent. 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

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 ALDH1A1 966/4885LMNA 3375/4885KDM4E 3840/4885

“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.