SCHEMBL3095817

SCHEMBL3095817

COc1ccc(Br)cc1CCc1sccc1C(=O)NC(=N)NCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.49
▸ DRD3 P35462 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ SLC5A7 Q9GZV3 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL3089406 0.95 MC4R (0.49) MC4RKDM4ETDP1
SCHEMBL3086877 0.94 MC4R (0.50) MC4RKDM4ETDP1CCR5
SCHEMBL3089624 0.88 CYP2D6 (0.48) MC4RSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3082690 0.86 L3MBTL1 (0.49) MC4RSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3095639 0.85 MC4R (0.56) MC4RSMN1; SMN2ALDH1A1
SCHEMBL3082223 0.83 MC4R (0.64) MC4RDRD3SIGMAR1ALDH1A1
SCHEMBL3095821 0.83 MC4R (0.70) MC4RKDM4ETDP1CCR5ALDH1A1
SCHEMBL4827523 0.83 MC4R (0.53) MC4RSIGMAR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3089926 0.83 MC4R (0.57) MC4RKDM4ETDP1SMN1; SMN2ALDH1A1
SCHEMBL3080666 0.82 DRD2 (0.59) MC4RDRD3SIGMAR1KMT2A

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 MC4R 1/4885DRD3 316/4885SIGMAR1 266/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R MC4R 4/4885DRD3 272/4885SIGMAR1 265/4885

“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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