SCHEMBL4360175

SCHEMBL4360175

COc1ccc(-c2ccc(-c3ccccc3)c(F)c2)cc1CSc1ccccc1C1=NCCCN1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.43
KCNH2 Q12809 1/20 0.38
NISCH Q9Y2I1 4/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
RUVBL1 Q9Y265 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL4911573 0.93 MC4R (0.47) MC4RKCNH2NISCHTSHRRUVBL1
SCHEMBL4358345 0.92 NISCH (0.42) MC4RKCNH2NISCHTSHRGAA
SCHEMBL4364842 0.88 MC4R (0.43) MC4RKCNH2NISCHRUVBL1PDCD1LG2
Formic Acid SCHEMBL4902744 0.87 RUVBL1 (0.40) MC4RKCNH2NISCHTSHRGAA
SCHEMBL4362760 0.86 NISCH (0.41) MC4RKCNH2NISCHGAARUVBL1
SCHEMBL14027101 0.86 MC4R (0.47) MC4RKCNH2NISCHTSHRGAA
SCHEMBL4370837 0.83 TACR1 (0.43) MC4RKCNH2NISCHRUVBL1
SCHEMBL4159326 0.82 PTGDR2 (0.45) MC4RKCNH2NISCHRUVBL1PDCD1LG2
SCHEMBL4068186 0.82 PTGDR2 (0.45) MC4RKCNH2NISCHKMT2A
SCHEMBL4370780 0.82 NISCH (0.48) MC4RKCNH2NISCHTSHRGAA

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
EP-2072050-A1 Compounds with anti-emetic effect Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-06-24 EP 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-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
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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 (2 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 3035/4885NISCH 1934/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R MC4R 1/4885KCNH2 3648/4885NISCH 2500/4885

“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.