SCHEMBL6990293

SCHEMBL6990293

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
NSD2 O96028 1/20 0.45
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
F11 P03951 1/20 0.36
CACNA2D1 P54289 1/20 0.36
HSD11B1 P28845 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL6985389 0.78 NOTUM (0.47) NOTUMNSD2DRD2DRD3
SCHEMBL6989709 0.73 NOTUM (0.50) NOTUMNSD2ALOX5DRD2DRD3
SCHEMBL6985886 0.71 NOTUM (0.60) NOTUMNSD2ALOX5DRD2DRD3
SCHEMBL6989012 0.70 NOTUM (0.46) NOTUMNSD2DRD2DRD3CTSG
SCHEMBL14632427 0.69 NOTUM (0.57) NOTUMALOX5DRD2DRD3HSD11B1
SCHEMBL6988378 0.69 NOTUM (0.57) NOTUMALOX5DRD2DRD3HSD11B1
SCHEMBL6984473 0.68 NOTUM (0.53) NOTUMNSD2KMT2AALOX5DRD2
SCHEMBL14632375 0.68 NOTUM (0.56) NOTUMKMT2AALOX5DRD2DRD3
SCHEMBL6987111 0.68 NOTUM (0.50) NOTUMNSD2ALOX5DRD2DRD3
SCHEMBL9105102 0.68 NOTUM (0.53) NOTUMNSD2KMT2AALOX5DRD2

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 4195/4885KMT2A 2600/4885

“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.