SCHEMBL3082690

SCHEMBL3082690

COc1ccc(Br)cc1CCc1sccc1C(=O)NC(=N)NCCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MC4R P32245 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CASK O14936 1/20 0.41
▸ MET P08581 2/20 0.41
▸ AXL P30530 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ MERTK Q12866 2/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ SELP P16109 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 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
SCHEMBL3089406 0.89 MC4R (0.49) MC4R
SCHEMBL3086877 0.88 MC4R (0.50) MC4R
SCHEMBL3095817 0.86 MC4R (0.49) MC4RALDH1A1KMT2ASMN1; SMN2
SCHEMBL3089624 0.85 CYP2D6 (0.48) L3MBTL1MC4RALDH1A1KMT2ASMN1; SMN2
SCHEMBL3095639 0.85 MC4R (0.56) MC4RALDH1A1SMN1; SMN2
SCHEMBL3082692 0.84 MC4R (0.56) L3MBTL1MC4RPOLB
SCHEMBL3095881 0.80 MC4R (0.59) MC4RALDH1A1SMN1; SMN2
SCHEMBL3082223 0.79 MC4R (0.64) L3MBTL1MC4RALDH1A1
SCHEMBL4827523 0.79 MC4R (0.53) MC4RALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3089926 0.79 MC4R (0.57) L3MBTL1MC4RALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20040147746-A1 Modulators of melanocortin receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-07-29 — — 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-20070293498-A1 Modulators of melanocortin receptor MC4R, MC1R, MC5R L3MBTL1 75/4885MC4R 1/4885ALDH1A1 2708/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R L3MBTL1 58/4885MC4R 4/4885ALDH1A1 2342/4885

“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.

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