SCHEMBL4720344

SCHEMBL4720344

O=C1N(C2CCC(O)CC2)CCC12CCN(c1ncc(Br)cn1)CC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.38
HSD11B1 P28845 8/20 0.37
HCRTR2 O43614 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
FPR2 P25090 1/20 0.33
PANK3 Q9H999 1/20 0.33
HCRTR1 O43613 1/20 0.32
CHRM4 P08173 1/20 0.32
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL5631229 1.00 CXCR3 (0.38) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL549517 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL2699742 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL2699738 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL2699981 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL549916 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL550534 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL549983 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL549917 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1
SCHEMBL549516 0.89 HSD11B1 (0.36) CXCR3HSD11B1HCRTR2OPRM1OPRL1

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 8 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
EP-1957494-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-08-20 EP claimed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 WO 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
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
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 CXCR3 2494/4885HSD11B1 1/4885HCRTR2 4496/4885

“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.