SCHEMBL16708685

SCHEMBL16708685

CCCCN1CCN(CCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.59
USP2 O75604 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CACNA1H O95180 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL8254760 0.94 DRD2 (0.64) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL9127008 0.89 DRD2 (0.60) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL13609474 0.89 DRD2 (0.60) DRD2USP2SIGMAR1TDP1GAA
SCHEMBL5429289 0.88 DRD2 (0.57) DRD2USP2SIGMAR1TDP1GAA
SCHEMBL30380052 0.88 TDP1 (0.64) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL30380945 0.88 DRD2 (0.59) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL3524057 0.88 DRD2 (0.66) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL23786468 0.87 DRD2 (0.58) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL11014476 0.87 DRD2 (0.58) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL4743239 0.86 ACHE (0.58) DRD2SIGMAR1TDP1GAAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133769-A1 LABELED COMPOUNDS AND METHODS OF IMAGING, DIAGNOSING CARTILAGE DISORDERS AND DISEASES, AND MONITORING CARTILAGE HEALTH USING LABELED AND UNLABELED COMPOUNDS PINWHEEL THERAPEUTICS INC. 2015-05-14 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-20150133769-A1 LABELED COMPOUNDS AND METHODS OF IMAGING, DIAGNOSING CARTILAGE DISORDERS AND DISEASES, AND MONITORING CARTILAGE HEALTH USING LABELED AND UNLABELED COMPOUNDS COL2A1, PLOD1, PLOD2 DRD2 3819/4885USP2 1348/4885SIGMAR1 2362/4885

“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.