SCHEMBL550542

SCHEMBL550542

Nc1ccc(N2CCC[C@]3(CCN(C4CCOCC4)C3=O)C2)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
ADK P55263 1/20 0.34
CRBN Q96SW2 3/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
BACE1 P56817 2/20 0.33
CTSE P14091 1/20 0.33
DDB1 Q16531 1/20 0.32
MAP4K4 O95819 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
SCHEMBL2697857 1.00 HSD11B1 (0.38) HSD11B1SMN1; SMN2ADKCRBNGRIN2D
SCHEMBL550741 0.88 HSD11B1 (0.47) HSD11B1SMN1; SMN2CRBN
SCHEMBL2702078 0.88 HSD11B1 (0.47) HSD11B1SMN1; SMN2CRBN
SCHEMBL550607 0.85 HTR7 (0.45) HSD11B1SMN1; SMN2
SCHEMBL550575 0.85 HTR7 (0.45) HSD11B1SMN1; SMN2
SCHEMBL549438 0.85 HTR7 (0.45) HSD11B1SMN1; SMN2
SCHEMBL553637 0.85 HTR7 (0.44) HSD11B1
SCHEMBL2699883 0.85 HTR7 (0.44) HSD11B1
SCHEMBL553638 0.85 HTR7 (0.44) HSD11B1
SCHEMBL3702046 0.82 CRBN (0.44) SMN1; SMN2CRBN

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 4 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 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 HSD11B1 1/4885SMN1; SMN2 3517/4885ADK 2769/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885SMN1; SMN2 3517/4885ADK 2769/4885

“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.