SCHEMBL5884449

SCHEMBL5884449

Nc1ccc2cccc(OCCOCCOc3cccc4ccc(N)nc34)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 1.00
MCHR1 Q99705 12/20 0.74
CYBB P04839 1/20 0.60
NOX5 Q96PH1 1/20 0.60

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
SCHEMBL23412162 1.00 NCF1 (1.00) NCF1MCHR1CYBBNOX5
SCHEMBL23412964 1.00 NCF1 (1.00) NCF1MCHR1CYBBNOX5
SCHEMBL5884656 0.90 MCHR1 (0.82) NCF1MCHR1
SCHEMBL5884109 0.88 MCHR1 (0.85) NCF1MCHR1
Trifluoroacetic Acid SCHEMBL23412266 0.87 NCF1 (0.75) NCF1MCHR1CYBBNOX5
Trifluoroacetic Acid SCHEMBL23412882 0.87 NCF1 (0.75) NCF1MCHR1CYBBNOX5
Trifluoroacetic Acid SCHEMBL23412834 0.87 NCF1 (0.75) NCF1MCHR1CYBBNOX5
SCHEMBL5884205 0.85 MCHR1 (1.00) NCF1MCHR1
SCHEMBL3267137 0.85 NCF1 (0.74) NCF1MCHR1
SCHEMBL5884456 0.84 MCHR1 (1.00) NCF1MCHR1

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
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO claimed
US-6989392-B2 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBOTT LABORATORIES (US) 2006-01-24 US claimed
US-20040063756-A1 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBVIE INC. 2004-04-01 US claimed
WO-2003105850-A1 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2003-12-24 WO claimed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
US-6989392-B2 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBOTT LABORATORIES (US) 2006-01-24 US disclosed
US-20040063756-A1 2-Aminoquinolines as melanin concentrating hormone receptor antagonists ABBVIE INC. 2004-04-01 US disclosed
WO-2003105850-A1 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2003-12-24 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 (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-20040063756-A1 2-Aminoquinolines as melanin concentrating hormone receptor antagonists MCHR1, MCHR2, MC1R NCF1 3219/4885MCHR1 1/4885CYBB 3459/4885

“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.