Sugi Predict

Sugi Predict / Compounds / SCHEMBL5629345

SCHEMBL5629345

SCHEMBL5629345

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCN(c1ccc(Br)cn1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ CXCR3 P49682 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ ADK P55263 2/20 0.37
▸ CRBN Q96SW2 4/20 0.36
▸ PANK3 Q9H999 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HCRTR2 O43614 3/20 0.33

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
SCHEMBL4720228 1.00 LCAT (0.43) LCATAKR1C3CXCR3PDE10AHSD11B1
SCHEMBL3705332 0.90 LCAT (0.38) LCATAKR1C3CXCR3PDE10AHSD11B1
SCHEMBL3705333 0.90 LCAT (0.38) LCATAKR1C3CXCR3PDE10AHSD11B1
SCHEMBL5930223 0.90 LCAT (0.38) LCATAKR1C3CXCR3PDE10AHSD11B1
SCHEMBL5568086 0.90 LCAT (0.38) LCATAKR1C3CXCR3PDE10AHSD11B1
SCHEMBL4763251 0.86 HRH3 (0.43) LCATHSD11B1CRBNPIK3CAHCRTR2
SCHEMBL4724250 0.86 HSD11B1 (0.47) LCATPDE10AHSD11B1PANK3
SCHEMBL5632593 0.86 HSD11B1 (0.47) LCATPDE10AHSD11B1PANK3
SCHEMBL4721733 0.86 HRH3 (0.43) LCATHSD11B1CRBNPIK3CAHCRTR2
SCHEMBL5631229 0.84 CXCR3 (0.38) CXCR3HSD11B1PANK3HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 — — US claimed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 — — US claimed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 — — US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 — — US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 — — US disclosed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 — — WO disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 — — US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 — — US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 — — 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-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 LCAT 268/4885AKR1C3 97/4885CXCR3 2494/4885

“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.