SCHEMBL550877

SCHEMBL550877

O=C1N(C2CCC(O)CC2)CC[C@]12CCCN(c1ccncc1F)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD11B1 P28845 10/20 0.37
SCN9A Q15858 1/20 0.35
ATR Q13535 2/20 0.32
ROCK2 O75116 4/20 0.32
PRKG1 Q13976 3/20 0.32
CNR2 P34972 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
KIF18A Q8NI77 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
SCHEMBL2699799 1.00 KEAP1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL549602 1.00 KEAP1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL550876 1.00 KEAP1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL2699793 1.00 KEAP1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL549601 1.00 KEAP1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL5631223 0.90 HSD11B1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL4720720 0.90 HSD11B1 (0.37) KEAP1NFE2L2HSD11B1SCN9AATR
SCHEMBL549672 0.85 SCN9A (0.43) HSD11B1SCN9A
SCHEMBL550117 0.85 SCN9A (0.43) HSD11B1SCN9A
SCHEMBL2699529 0.85 SCN9A (0.43) HSD11B1SCN9A

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-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US claimed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US claimed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 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 (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KEAP1 435/4885NFE2L2 3262/4885HSD11B1 1/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 KEAP1 435/4885NFE2L2 3262/4885HSD11B1 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.