SCHEMBL5884239

SCHEMBL5884239

Nc1ccc2cccc(OCc3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.57
MAOB P27338 3/20 0.53
NCF1 P14598 3/20 0.52
IDO1 P14902 2/20 0.50
PLAU P00749 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL4551627 0.83 MEN1 (0.62) MAOBIDO1ALDH1A1GAAL3MBTL1
SCHEMBL1012890 0.81 NCF1 (0.63) MCHR1NCF1PLAU
SCHEMBL5884112 0.81 NCF1 (0.67) MCHR1NCF1PLAU
Bromide SCHEMBL5753024 0.80 NCF1 (0.61) MCHR1NCF1PLAU
SCHEMBL7258874 0.78 MCHR1 (0.64) MCHR1NCF1
SCHEMBL23592013 0.77 MAOB (0.62) MAOBIDO1ALDH1A1GAAL3MBTL1
SCHEMBL29824597 0.77 MAOB (0.62) MAOBIDO1ALDH1A1GAAL3MBTL1
SCHEMBL11071004 0.76 LTA4H (0.61) MAOBIDO1ALDH1A1GAAL3MBTL1
SCHEMBL5884124 0.74 MCHR1 (0.75) MCHR1
SCHEMBL7256286 0.74 MCHR1 (0.75) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MCHR1 1/4885MAOB 223/4885NCF1 3219/4885

“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.