SCHEMBL5523407

SCHEMBL5523407

CN1Cc2c[c]ccc2CC1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
NEK2 P51955 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
SCHEMBL677618 0.75 BRD4 (0.50) CYP11B2BRD4CREBBP
SCHEMBL1450858 0.73 PKM (0.37) GAA
SCHEMBL1500107 0.73 PARP1 (0.35) BRD4CREBBP
SCHEMBL3483234 0.73 TRIM24 (0.39) GAA
SCHEMBL18000490 0.73 DDB1 (0.38) BRD4CREBBP
SCHEMBL213748 0.72 MAOA (0.40)
SCHEMBL3755745 0.70 BRD4 (0.59) BRD4CREBBP
SCHEMBL20400573 0.70 CYP1A2 (0.50)
SCHEMBL7838919 0.69 CYP2A6 (0.54) CYP11B2
SCHEMBL5985141 0.69 CYP11B2 (0.45) CYP11B2GAASMN1; SMN2NEK2

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-7238683-B2 Fused phenylalanine derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-07-03 US claimed
US-20060281727-A1 Fused phenylalanine derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-12-14 US claimed
US-7238683-B2 Fused phenylalanine derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-07-03 US disclosed
US-20060281727-A1 Fused phenylalanine derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-12-14 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 (1 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-20060281727-A1 Fused phenylalanine derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CYP11B2 2179/4885GAA 151/4885SMN1; SMN2 3964/4885

“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.