SCHEMBL390241

SCHEMBL390241

F[C@@H]1CCN([C@H]2CCN(c3ccc(Br)cn3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
NMT1 P30419 1/20 0.38
AKR1C3 P42330 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
ADRA1A P35348 2/20 0.36
LCAT P04180 1/20 0.35
MAPT P10636 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL389578 1.00 PDE10A (0.41) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17316304 0.87 GRIN2D (0.48) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17316509 0.87 GRIN2D (0.48) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15205475 0.87 GRIN2D (0.48) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1779679 0.85 HRH3 (0.45) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1781248 0.81 MAP4K4 (0.53) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15206004 0.81 AKR1C3 (0.52) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5623842 0.78 GRIN2D (0.48) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23263993 0.78 MAP4K4 (0.51) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2324509 0.78 HRH3 (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A

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 PDE10A 1526/4885GRIN2D 2397/4885GRIN3B 1056/4885

“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.