SCHEMBL4824633

SCHEMBL4824633

COc1ccc(Br)cc1CSc1ccc(C(F)(F)F)cc1C1=NCCCN1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.49
KCNH2 Q12809 1/20 0.47
SLC6A4 P31645 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RUVBL1 Q9Y265 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL4147932 0.90 MC4R (0.53) MC4RKCNH2GFERKMT2APOLB
SCHEMBL4150765 0.88 MC4R (0.54) MC4RKCNH2GFERKMT2APOLB
SCHEMBL4007124 0.87 MC4R (0.42) MC4RKCNH2SLC6A4PTGDR2KMT2A
SCHEMBL4011352 0.87 MC4R (0.50) MC4RKCNH2PTGDR2GFERKMT2A
SCHEMBL4372352 0.87 MC4R (0.50) MC4RKCNH2GFERKMT2APOLB
SCHEMBL4064122 0.85 MC4R (0.56) MC4RKCNH2KMT2A
SCHEMBL4362042 0.85 MC4R (0.52) MC4RKCNH2GFERKMT2APOLB
Formic Acid SCHEMBL4906212 0.85 MC4R (0.48) MC4RKCNH2GFERKMT2APOLB
SCHEMBL4149896 0.84 MC4R (0.60) MC4RKCNH2GFERKMT2APOLB
SCHEMBL4364683 0.82 MC4R (0.49) MC4RKCNH2PTGDR2GFERKMT2A

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 MC4R 1/4885KCNH2 3035/4885SLC6A4 137/4885

“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.