SCHEMBL3080666

SCHEMBL3080666

CCN1CCCC1CNC(=N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 10/20 0.59
▸ DRD3 P35462 3/20 0.50
▸ DRD4 P21917 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ MC4R P32245 1/20 0.48

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
SCHEMBL3080669 0.84 MC4R (0.57) DRD2MC4R
SCHEMBL3095817 0.82 MC4R (0.49) DRD3KMT2ASIGMAR1MC4R
SCHEMBL3089406 0.81 MC4R (0.49) MC4R
SCHEMBL3084384 0.81 MC4R (0.52) MEN1KMT2AMC4R
SCHEMBL3095639 0.81 MC4R (0.56) MC4R
SCHEMBL3086877 0.80 MC4R (0.50) MC4R
SCHEMBL3089926 0.80 MC4R (0.57) MC4R
SCHEMBL3082223 0.79 MC4R (0.64) DRD2DRD3HTR1AADRA2ACYP2D6
SCHEMBL3082690 0.79 L3MBTL1 (0.49) MEN1KMT2AMC4R
SCHEMBL4827523 0.78 MC4R (0.53) MEN1KMT2ASIGMAR1MC4R

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 10 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
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 DRD2 244/4885DRD3 316/4885DRD4 405/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R DRD2 200/4885DRD3 272/4885DRD4 751/4885

“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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