SCHEMBL4360145

SCHEMBL4360145

COc1ccc(Br)cc1CCc1cccc(C)c1CN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ MC4R P32245 9/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL5763447 0.91 KDM4E (0.55) KDM4ETDP1MC4RCCR5ALDH1A1
SCHEMBL4369281 0.90 KDM4E (0.51) KDM4ETDP1MC4RALDH1A1KMT2A
SCHEMBL4359119 0.89 KDM4E (0.50) KDM4ETDP1MC4RALDH1A1
SCHEMBL4006591 0.89 KDM4E (0.65) KDM4ETDP1MC4RCCR5ALDH1A1
SCHEMBL4006364 0.82 KDM4E (0.66) KDM4ETDP1MC4RCCR5ALDH1A1
SCHEMBL4008856 0.82 KDM4E (0.66) KDM4ETDP1MC4RCCR5ALDH1A1
SCHEMBL4147186 0.79 MC4R (0.54) KDM4ETDP1MC4R
SCHEMBL4357418 0.78 KCNH2 (0.56) KDM4ETDP1MC4R
SCHEMBL4009569 0.76 KDM4E (0.70) KDM4ETDP1CCR5ALDH1A1MEN1
SCHEMBL4816169 0.75 MC4R (0.45) MC4RCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 — — EP claimed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 — — WO claimed
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
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 — — EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 — — WO 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
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 — — EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 — — 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R KDM4E 1351/4885TDP1 4856/4885MC4R 1/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R KDM4E 1327/4885TDP1 4817/4885MC4R 1/4885

“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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