SCHEMBL4763251

SCHEMBL4763251

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
LCAT P04180 1/20 0.43
HSD11B1 P28845 2/20 0.41
SCN9A Q15858 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
GRM1 Q13255 2/20 0.38
CRBN Q96SW2 2/20 0.36
SLC6A9 P48067 1/20 0.36
CHIA Q9BZP6 1/20 0.36
PARP1 P09874 1/20 0.36
PIK3CA P42336 1/20 0.36
DHFR P00374 1/20 0.36
CHRM4 P08173 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SLC27A1 Q6PCB7 2/20 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
SCHEMBL4721733 1.00 HRH3 (0.43) HRH3LCATHSD11B1SCN9AGPR119
SCHEMBL550327 0.90 HSD11B1 (0.41) HRH3LCATHSD11B1SCN9AGPR119
SCHEMBL550326 0.90 HSD11B1 (0.41) HRH3LCATHSD11B1SCN9AGPR119
SCHEMBL5632593 0.86 HSD11B1 (0.47) LCATHSD11B1GPR119
SCHEMBL5629345 0.86 LCAT (0.43) LCATHSD11B1CRBNPIK3CAHCRTR1
SCHEMBL4720228 0.86 LCAT (0.43) LCATHSD11B1CRBNPIK3CAHCRTR1
SCHEMBL4724250 0.86 HSD11B1 (0.47) LCATHSD11B1GPR119
SCHEMBL5630668 0.85 KDM4E (0.52) LCATSCN9AGPR119
SCHEMBL5630663 0.85 KDM4E (0.52) LCATSCN9AGPR119
SCHEMBL5632652 0.84 HSD11B1 (0.39) HSD11B1HCRTR2

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 11 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
EP-1957494-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-08-20 EP disclosed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 WO 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 HRH3 2940/4885LCAT 268/4885HSD11B1 1/4885

“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.