SCHEMBL5586763

SCHEMBL5586763

BrC=CCc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HRH3 Q9Y5N1 1/20 0.44
AHR P35869 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CYP2A6 P11509 1/20 0.42
AOC3 Q16853 2/20 0.41
IDO1 P14902 2/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL4333117 0.82 LOXL2 (0.59) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL6156791 0.82 LOXL2 (0.55) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL2185508 0.82 LOXL2 (0.55) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL7549813 0.82 LOXL2 (0.59) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL5642064 0.79 LOXL2 (0.60) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL2592547 0.79 LOXL2 (0.60) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL4760639 0.78 LOXL2 (0.50) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL653529 0.78 LOXL2 (0.63) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL2485760 0.78 LOXL2 (0.58) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL325463 0.78 LOXL2 (0.58) LOXL2HRH3AHRHRH4MTNR1A

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 5 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-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 LOXL2 4075/4885HRH3 89/4885AHR 1434/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C LOXL2 4075/4885HRH3 89/4885AHR 1434/4885

“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.