SCHEMBL4569983

SCHEMBL4569983

CN1CCC2(CCCN(C3CCCCC3)C2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.43
ACACA Q13085 7/20 0.43
KDM4E B2RXH2 1/20 0.34
HSD11B1 P28845 2/20 0.34
BDKRB2 P30411 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
HTR7 P34969 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
SCHEMBL13312042 0.87 ACACB (0.42) ACACBACACA
Hydrochloric Acid SCHEMBL3497654 0.86 ACACB (0.41) ACACBACACA
SCHEMBL3498966 0.78 ACACB (0.46) ACACBACACAKDM4E
SCHEMBL4569984 0.75 CHRM4 (0.36) ACACBACACAGRIN1GRIN2A
SCHEMBL10186798 0.75 GRIN1 (0.38) ACACBACACAGRIN1GRIN2A
SCHEMBL10186825 0.75 GRIN1 (0.38) ACACBACACAGRIN1GRIN2A
SCHEMBL10186820 0.75 GRIN1 (0.38) ACACBACACAGRIN1GRIN2A
SCHEMBL4569985 0.74 GRM5 (0.51) HSD11B1
SCHEMBL26456980 0.74 GRIN1 (0.42) GRIN1GRIN2A
SCHEMBL13460109 0.72 GRIN1 (0.40) GRIN1GRIN2ASIGMAR1

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 ACACB 1175/4885ACACA 425/4885KDM4E 3021/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 ACACB 1175/4885ACACA 425/4885KDM4E 3021/4885

“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.