SCHEMBL6985389

SCHEMBL6985389

CC1(C)OCC(C(=O)O)N1c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
NSD2 O96028 1/20 0.45
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
GRM2 Q14416 1/20 0.36
FADS1 O60427 3/20 0.36
HIF1A Q16665 1/20 0.36
NOX4 Q9NPH5 1/20 0.36

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
SCHEMBL6990293 0.78 NOTUM (0.47) NOTUMNSD2DRD2DRD3
SCHEMBL6992302 0.73 NOTUM (0.50) NOTUMNSD2DRD2DRD3GRM2
SCHEMBL6991769 0.72 NOTUM (0.49) NOTUMNSD2DRD2DRD3GRM2
SCHEMBL6985886 0.71 NOTUM (0.60) NOTUMNSD2DRD2DRD3
SCHEMBL14632427 0.69 NOTUM (0.57) NOTUMDRD2DRD3
SCHEMBL6988378 0.69 NOTUM (0.57) NOTUMDRD2DRD3
SCHEMBL6984473 0.68 NOTUM (0.53) NOTUMNSD2DRD2DRD3FADS1
SCHEMBL9105102 0.68 NOTUM (0.53) NOTUMNSD2DRD2DRD3FADS1
SCHEMBL14632375 0.68 NOTUM (0.56) NOTUMDRD2DRD3
SCHEMBL6839819 0.68 NOTUM (0.56) NOTUMDRD2DRD3

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-20030176465-A1 Cyclic amino acid derivatives MERCK PATENT GMBH (DE) 2003-09-18 US disclosed
EP-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 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-20030176465-A1 Cyclic amino acid derivatives F5, F11, F2 NOTUM 4067/4885NSD2 4195/4885DRD2 3651/4885

“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.