SCHEMBL3089579

SCHEMBL3089579

COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(=N)NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 0.56
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL13147191 0.91 MC4R (0.58) MC4R
SCHEMBL14193807 0.90 MC4R (0.61) MC4R
SCHEMBL13147259 0.87 MC4R (0.59) MC4R
SCHEMBL3089582 0.83 MC4R (0.70) MC4R
SCHEMBL3087246 0.83 ALDH1A1 (0.51) MC4RALDH1A1GAACYP1A2CYP3A4
SCHEMBL3093437 0.82 MC4R (0.69) MC4R
SCHEMBL3088363 0.82 MC4R (0.57) MC4RALDH1A1GAA
SCHEMBL3089933 0.82 MC4R (0.69) MC4R
SCHEMBL13147315 0.81 MC4R (0.54) MC4R
SCHEMBL3083334 0.79 MC4R (0.56) MC4R

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
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 MC4R 1/4885ALDH1A1 2708/4885GAA 3693/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R MC4R 4/4885ALDH1A1 2342/4885GAA 3742/4885

“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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