SCHEMBL3089624

SCHEMBL3089624

COc1ccc(Br)cc1CCc1sccc1C(=O)NC(=N)NCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ MC4R P32245 4/20 0.48
▸ LMNA P02545 4/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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 0.93 MC4R (0.49) MC4R
SCHEMBL3086877 0.92 MC4R (0.50) MC4RTSHR
SCHEMBL3095817 0.88 MC4R (0.49) MC4RKMT2AALDH1A1SMN1; SMN2
SCHEMBL3082690 0.85 L3MBTL1 (0.49) MC4RKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL3095639 0.85 MC4R (0.56) MC4RLMNAALDH1A1SMN1; SMN2
SCHEMBL3089626 0.84 MC4R (0.63) CYP2D6CYP2C9MC4RLMNAKMT2A
SCHEMBL13147102 0.83 MC4R (0.51) CYP2D6CYP2C9MC4RLMNAKMT2A
SCHEMBL3077985 0.83 MC4R (0.62) CYP2D6CYP2C9MC4RLMNA
SCHEMBL3095881 0.81 MC4R (0.59) MC4RLMNAALDH1A1SMN1; SMN2
SCHEMBL3082223 0.80 MC4R (0.64) CYP2D6CYP2C9MC4RLMNATSHR

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 13 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
EP-1590338-A2 MODULATORS OF MELANOCORTIN RECEPTOR Gene Logic Inc. (US) 2005-11-02 — — EP disclosed
US-20040147746-A1 Modulators of melanocortin receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-07-29 — — US disclosed
WO-2004050610-A2 MODULATORS OF MELANOCORTIN RECEPTOR GENE LOGIC INC. (US) 2004-06-17 — — WO 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 CYP2D6 1514/4885CYP2C9 2721/4885MC4R 1/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R CYP2D6 2069/4885CYP2C9 2922/4885MC4R 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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