SCHEMBL4823948

SCHEMBL4823948

c1ccc(C2=NCCCN2)c(SCc2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.45
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
DAO P14920 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE7A Q13946 1/20 0.38

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
SCHEMBL4070724 0.85 NISCH (0.51) NISCHMEN1KMT2AL3MBTL1GAA
SCHEMBL4823992 0.85 NISCH (0.47) NISCHMEN1KMT2AL3MBTL1GAA
Bromide SCHEMBL4909528 0.84 NISCH (0.50) NISCHMEN1KMT2AL3MBTL1GAA
SCHEMBL4068865 0.83 L3MBTL1 (0.46) NISCHMEN1KMT2AL3MBTL1GAA
SCHEMBL4825348 0.83 NISCH (0.52) NISCHMEN1KMT2AGAATSHR
SCHEMBL4821696 0.83 NISCH (0.47) NISCHCYP2D6MEN1KMT2AL3MBTL1
SCHEMBL4070947 0.83 NISCH (0.47) NISCHMEN1KMT2AL3MBTL1GAA
SCHEMBL4159436 0.82 NISCH (0.49) NISCHMEN1KMT2AL3MBTL1GAA
SCHEMBL4818428 0.82 NISCH (0.47) NISCHNFKB1MEN1KMT2AGAA
SCHEMBL4069362 0.82 L3MBTL1 (0.46) NISCHMEN1KMT2AL3MBTL1GAA

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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R NISCH 1934/4885CYP2D6 1108/4885NFKB1 4619/4885

“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.