SCHEMBL4720720

SCHEMBL4720720

O=C1N(C2CCC(O)CC2)CCC12CCN(c1ccncc1F)CC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.37
SCN9A Q15858 2/20 0.37
ROCK2 O75116 3/20 0.36
PRKG1 Q13976 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
CHRM1 P11229 1/20 0.34
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
LIMK2 P53671 1/20 0.33
ATR Q13535 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL5631223 1.00 HSD11B1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL549601 0.90 KEAP1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL549602 0.90 KEAP1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL2699793 0.90 KEAP1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL550877 0.90 KEAP1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL550876 0.90 KEAP1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL2699799 0.90 KEAP1 (0.37) HSD11B1SCN9AROCK2PRKG1KEAP1
SCHEMBL5629543 0.81 HSD11B1 (0.45) HSD11B1SCN9A
SCHEMBL4719581 0.81 HSD11B1 (0.45) HSD11B1SCN9A
SCHEMBL4722855 0.77 HCRTR2 (0.47)

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 6 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
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 HSD11B1 1/4885SCN9A 1775/4885ROCK2 4125/4885

“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.