SCHEMBL391497

SCHEMBL391497

O[C@H]1CN(c2ccc(Br)cn2)C[C@@H]1N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ ACACB O00763 1/20 0.38
▸ PANK3 Q9H999 1/20 0.36
▸ UBE2T Q9NPD8 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ LCAT P04180 1/20 0.34
▸ OGA O60502 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ADRA1A P35348 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL10168654 1.00 PDE10A (0.42) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13547453 0.77 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30283050 0.77 PDE10A (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2255519 0.75 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1779679 0.74 HRH3 (0.45) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5258100 0.74 L3MBTL3 (0.50) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31196073 0.73 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3573336 0.73 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2324509 0.73 HRH3 (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL387852 0.73 HRH4 (0.43) 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 2 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

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.

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