SCHEMBL5583811

SCHEMBL5583811

OC1COc2c(ccc3ncccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1A P08908 1/20 0.42
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
ERN1 O75460 1/20 0.35
NCOA1 Q15788 2/20 0.34
CYP11B2 P19099 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP1B1 Q16678 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 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 0.82 MAPT (0.43) MAPTKDM4EHTR1ACYP3A4LMNA
SCHEMBL5583918 0.82 MAPT (0.43) MAPTKDM4EHTR1ACYP3A4LMNA
SCHEMBL5583567 0.82 MAPT (0.43) MAPTKDM4EHTR1ACYP3A4LMNA
SCHEMBL5583646 0.77 HTR1A (0.40) MAPTKDM4EHTR1ACYP3A4MEN1
SCHEMBL5583938 0.77 MAPT (0.43) MAPTKDM4EHTR1ACYP3A4LMNA
SCHEMBL14439269 0.76 HTR1A (0.39) MAPTKDM4EHTR1ACYP3A4LMNA
SCHEMBL1772825 0.72 HPRT1 (0.42) HTTHIF1ACYP1B1
SCHEMBL10423429 0.71 P2RX7 (0.44)
SCHEMBL6082544 0.71 MAPT (0.47) MAPTKDM4EHTR1ACYP3A4LMNA
SCHEMBL5742357 0.70 ALDH1A1 (0.38) MAPTKDM4EMEN1KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.