SCHEMBL392170

SCHEMBL392170

Brc1ccc(N2CCC(N(C3CC3)C3CC3)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
PDE10A Q9Y233 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MCHR1 Q99705 2/20 0.43
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
AKR1C3 P42330 1/20 0.40
LCAT P04180 1/20 0.37
JAK3 P52333 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAP4K4 O95819 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PANK3 Q9H999 1/20 0.34

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
SCHEMBL392169 1.00 CHRM4 (0.44) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL390344 0.85 MCHR1 (0.55) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL390343 0.85 MCHR1 (0.55) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL15205495 0.85 MCHR1 (0.55) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL1782256 0.81 CHRM4 (0.46) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL2920931 0.81 CHRM4 (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL392589 0.79 MCHR1 (0.47) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL15205475 0.78 GRIN2D (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL17316509 0.78 GRIN2D (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL17316304 0.78 GRIN2D (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1

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 4 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (1 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 CHRM4 200/4885PDE10A 1526/4885GRIN2D 2397/4885

“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.