SCHEMBL4569984

SCHEMBL4569984

CN1CCC2(CCCN(S(=O)(=O)C3CCCCC3)C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.36
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
EPHX2 P34913 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
BRD4 O60885 1/20 0.30
LTA4H P09960 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
SCHEMBL14359234 0.81 CYP3A4 (0.40)
SCHEMBL4569983 0.75 ACACB (0.43) ACACBACACAGRIN1GRIN2A
SCHEMBL27312638 0.72 NEK2 (0.42)
SCHEMBL10186825 0.72 GRIN1 (0.38) ACACBACACAGRIN1GRIN2ALTA4H
SCHEMBL10186820 0.72 GRIN1 (0.38) ACACBACACAGRIN1GRIN2ALTA4H
SCHEMBL10186798 0.72 GRIN1 (0.38) ACACBACACAGRIN1GRIN2ALTA4H
SCHEMBL4569985 0.71 GRM5 (0.51)
SCHEMBL26456980 0.71 GRIN1 (0.42) GRIN1GRIN2ABRD4LTA4H
SCHEMBL14359510 0.70 TSHR (0.52)
SCHEMBL13460109 0.69 GRIN1 (0.40) GRIN1GRIN2ABRD4LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM4 3944/4885ACACB 1175/4885ACACA 425/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 CHRM4 3944/4885ACACB 1175/4885ACACA 425/4885

“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.