SCHEMBL11024441

SCHEMBL11024441

CN1CC(=O)Nc2ccc(OCCF)cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
MAOB P27338 5/20 0.42
MAOA P21397 3/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL10632075 0.81 MEN1 (0.65) MEN1KMT2APDE3BPDE3AMAOB
SCHEMBL11026437 0.81 MAOB (0.58) MEN1KMT2APDE3BPDE3AMAOB
SCHEMBL7138979 0.76 KMT2A (0.68) MEN1KMT2A
SCHEMBL29676340 0.76 KMT2A (0.68) MEN1KMT2A
SCHEMBL11685320 0.75 MEN1 (0.50) MEN1KMT2AMAOBMAOADRD2
SCHEMBL435141 0.74 MEN1 (0.70) MEN1KMT2A
SCHEMBL7271469 0.73 KMT2A (1.00) MEN1KMT2A
SCHEMBL14114321 0.73 MEN1 (0.68) MEN1KMT2APDE3BPDE3A
SCHEMBL2850811 0.73 MEN1 (0.68) MEN1KMT2A
SCHEMBL14610310 0.73 MEN1 (0.68) MEN1KMT2APDE3BPDE3A

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-20120189547-A1 [18F] LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2012-07-26 US disclosed
US-20120189547-A1 [18F] LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2012-07-26 US disclosed
US-20120189547-A1 [18F] LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2012-07-26 US disclosed
WO-2011042550-A1 [18 F] - LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-04-14 WO 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-20120189547-A1 [18F] LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GABRA5, GABRA4, GABRA2 MEN1 1698/4885KMT2A 1274/4885PDE3B 1163/4885

“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.