SCHEMBL390676

SCHEMBL390676

Cc1cc(Br)cnc1N1CCC(N(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 8/20 0.44
▸ JAK2 O60674 3/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ MCHR1 Q99705 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.38

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
SCHEMBL390675 1.00 OPRK1 (0.44) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL21513242 0.85 JAK2 (0.44) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL29969803 0.85 JAK2 (0.44) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL14375971 0.82 HRH4 (0.44) JAK2JAK1HRH4MCHR1HRH3
SCHEMBL29968129 0.80 JAK2 (0.43) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL26130781 0.80 JAK2 (0.43) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL14349505 0.78 HRH4 (0.41) JAK2JAK1HRH4MCHR1HRH3
SCHEMBL26131525 0.78 OPRK1 (0.43) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL29969608 0.78 OPRK1 (0.43) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL1927645 0.78 HDAC6 (0.49) OPRK1JAK2JAK1JAK3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 — — US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 — — US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 — — US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 — — US disclosed
EP-2231646-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2010-09-29 — — EP disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 — — US disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 — — WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 — — 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R OPRK1 79/4885JAK2 144/4885JAK1 398/4885
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R OPRK1 93/4885JAK2 231/4885JAK1 417/4885

“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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