SCHEMBL5583567

SCHEMBL5583567

NC1COc2c(ccc3ncccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 1/20 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
CYP11B2 P19099 2/20 0.32
ERN1 O75460 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
SCHEMBL5583824 1.00 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583918 1.00 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583811 0.82 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583735 0.77 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5584234 0.77 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583686 0.77 MAPT (0.43) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL14439269 0.76 HTR1A (0.39) MAPTKDM4EHTR1ALMNAMEN1
Hydrochloric Acid SCHEMBL5586785 0.75 HTR1A (0.42) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL6082544 0.71 MAPT (0.47) MAPTKDM4EHTR1ALMNAMEN1
SCHEMBL5583908 0.69 CYP2D6 (0.38) HTR1ALMNAMEN1HTTKMT2A

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 13 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
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
EP-1638976-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES Wyeth (US) 2006-03-29 EP disclosed
US-20050004157-A1 Quinoline 3-amino chroman derivatives WYETH 2005-01-06 US disclosed
WO-2004099214-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES WYETH (US) 2004-11-18 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 (2 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-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C MAPT 1774/4885KDM4E 2356/4885HTR1A 5/4885
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.