SCHEMBL5884058

SCHEMBL5884058

CCCCC(CC)c1cccc2ccc(N)nc12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.52
NCF1 P14598 3/20 0.41
BACE1 P56817 1/20 0.41
PLAU P00749 1/20 0.41

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
SCHEMBL5884400 0.91 MCHR1 (0.55) MCHR1NCF1BACE1PLAU
SCHEMBL5884106 0.84 MCHR1 (0.54) MCHR1NCF1BACE1PLAU
SCHEMBL5884276 0.74 MCHR1 (0.82) MCHR1NCF1
SCHEMBL7256839 0.73 MCHR1 (0.72) MCHR1NCF1
SCHEMBL2126529 0.72 ALDH1A1 (0.44)
SCHEMBL29745034 0.72 CYP1A2 (0.36)
SCHEMBL20711189 0.72 CYP1A2 (0.42)
SCHEMBL11228142 0.71 TLR8 (0.38)
Phosphine SCHEMBL27574977 0.70 CYSLTR2 (0.41)
SCHEMBL5883793 0.70 MCHR1 (0.68) 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 1/4885NCF1 3219/4885BACE1 3869/4885

“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.