SCHEMBL549462

SCHEMBL549462

O=C(O)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.39
AADAT Q8N5Z0 2/20 0.33
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
GRM5 P41594 1/20 0.31
ADORA2A P29274 1/20 0.30

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
SCHEMBL3698736 1.00 HSD11B1 (0.39) HSD11B1AADATACACBACACAHRH3
SCHEMBL3643325 1.00 HSD11B1 (0.39) HSD11B1AADATACACBACACAHRH3
SCHEMBL549461 1.00 HSD11B1 (0.39) HSD11B1AADATACACBACACAHRH3
SCHEMBL3639613 1.00 HSD11B1 (0.39) HSD11B1AADATACACBACACAHRH3
SCHEMBL2700495 1.00 HSD11B1 (0.39) HSD11B1AADATACACBACACAHRH3
SCHEMBL2700492 1.00 HSD11B1 (0.39) HSD11B1AADATACACBACACAHRH3
SCHEMBL549227 0.88 HSD11B1 (0.39) HSD11B1AADATHRH3
SCHEMBL549228 0.88 HSD11B1 (0.39) HSD11B1AADATHRH3
SCHEMBL550333 0.86 HSD11B1 (0.39) HSD11B1AADATHRH3GRM5
SCHEMBL550334 0.86 HSD11B1 (0.39) HSD11B1AADATHRH3GRM5

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 1/4885AADAT 1625/4885ACACB 1175/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885AADAT 1625/4885ACACB 1175/4885

“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.