SCHEMBL5583694

SCHEMBL5583694

CC(=O)OC1COc2ccc3ncccc3c2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MTNR1A P48039 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
ERN1 O75460 1/20 0.33
CREBBP Q92793 1/20 0.32
KIF11 P52732 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL5583646 0.82 HTR1A (0.40) HTR1AMEN1KMT2AKDM4EMAPT
SCHEMBL5584049 0.77 HTR1A (0.39) HTR1AMEN1KMT2ATDP1CYP1A2
SCHEMBL5583735 0.75 MAPT (0.43) HTR1AMEN1KMT2AKDM4EMAPT
SCHEMBL5583686 0.75 MAPT (0.43) HTR1AMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL5586785 0.74 HTR1A (0.42) HTR1AMEN1KMT2AKDM4EMAPT
SCHEMBL472541 0.73 DRD2 (0.36) HTR1AMTNR1A
SCHEMBL10842358 0.70 FEN1 (0.42)
SCHEMBL14439255 0.69 HTR1A (0.39) HTR1AMEN1KMT2AKDM4EMAPT
SCHEMBL3939117 0.69 NPC1 (0.40) MEN1KMT2AKDM4EMAPTERN1
SCHEMBL13093965 0.68 KDM4E (0.45) HTR1AMEN1KMT2AKDM4EMAPT

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 HTR1A 5/4885MEN1 1748/4885KMT2A 1520/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C HTR1A 5/4885MEN1 1748/4885KMT2A 1520/4885

“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.