SCHEMBL5583686

SCHEMBL5583686

N[C@@H]1COc2ccc3ncccc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 3/20 0.42
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 1/20 0.37
NCOA1 Q15788 1/20 0.34
ACHE P22303 1/20 0.33
ERN1 O75460 1/20 0.32
LTA4H P09960 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL5584234 1.00 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583735 1.00 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
Hydrochloric Acid SCHEMBL5586785 0.99 HTR1A (0.42) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583938 0.82 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583918 0.77 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583824 0.77 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583567 0.77 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL14439255 0.76 HTR1A (0.39) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL28968552 0.75 DPP4 (0.47) MAPTKDM4EHTTCYP1A2
SCHEMBL5583694 0.75 HTR1A (0.41) MAPTKDM4EHTR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US claimed
EP-1638976-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES Wyeth (US) 2006-03-29 EP claimed
US-20050004157-A1 Quinoline 3-amino chroman derivatives WYETH 2005-01-06 US claimed
WO-2004099214-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES WYETH (US) 2004-11-18 WO claimed

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-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C MAPT 1774/4885KDM4E 2356/4885HTR1A 5/4885

“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.