SCHEMBL3095690

SCHEMBL3095690

N=C(NCCCN1CCCC1)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MC4R P32245 5/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMAD3 P84022 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SMYD2 Q9NRG4 1/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DRD4 P21917 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ BCL3 P20749 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL3080769 0.92 ALDH1A1 (0.52) KDM4EHSD17B10MC4RKMT2AMAPT
SCHEMBL3095697 0.82 MC4R (0.65) MC4R
SCHEMBL3090271 0.80 MC4R (0.72) MC4R
SCHEMBL13147330 0.78 MC4R (0.49) MC4RMEN1PSMD14GAASMAD3
SCHEMBL13147083 0.78 MC4R (0.48) MC4RMEN1PSMD14GAASMAD3
SCHEMBL13147367 0.77 MC4R (0.73) MC4R
SCHEMBL13147091 0.77 MC4R (0.49) MC4RMEN1PSMD14GAASMAD3
SCHEMBL14193791 0.77 MC4R (0.72) MC4R
SCHEMBL3093429 0.76 MC4R (0.54) MC4RMEN1KMT2A
SCHEMBL3080771 0.75 MC4R (0.57) MC4RALDH1A1

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 11 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
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 KDM4E 1878/4885HSD17B10 2838/4885MC4R 1/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R KDM4E 2340/4885HSD17B10 2282/4885MC4R 4/4885

“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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