SCHEMBL3355185

SCHEMBL3355185

O=[N+]([O-])c1ccc2c(c1)CN(CCF)CCO2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
CTSB P07858 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
KCNJ1 P48048 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
KCNH2 Q12809 1/20 0.37

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 0.93 MAPT (0.44) PIK3CDPIK3CAPIK3CBPIK3CGCTSB
SCHEMBL3357382 0.80 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
Hydrochloric Acid SCHEMBL7477907 0.79 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL7479469 0.74 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL2061323 0.73 GRIN2B (0.48) KCNJ1GRIN1GRIN2BKCNH2
SCHEMBL3351885 0.73 RIPK1 (0.50) PIK3CAALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL29525659 0.72 ADRA2A (0.46) ALDH1A1MAPTLMNASMN1; SMN2PKM
SCHEMBL1633977 0.72 ADRA2A (0.46) ALDH1A1MAPTLMNASMN1; SMN2PKM
SCHEMBL30781048 0.70 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL6427738 0.70 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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 PIK3CD 2017/4885PIK3CA 2142/4885PIK3CB 1917/4885

“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.