SCHEMBL19002652

SCHEMBL19002652

CCC(=O)N1CCN(c2cccc(C#N)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.61
DRD3 P35462 2/20 0.59
ADAMTS5 Q9UNA0 1/20 0.54
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 1/20 0.49
PHGDH O43175 1/20 0.49
CHRM4 P08173 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PDK2 Q15119 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
SCHEMBL19049593 0.85 DRD2 (0.59) DRD2DRD3ADAMTS5NOTUMPHGDH
SCHEMBL12947249 0.83 MAPT (0.53) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL5763718 0.83 DRD2 (0.60) DRD2DRD3ADAMTS5NOTUMPHGDH
SCHEMBL23467841 0.81 DRD2 (0.55) DRD2DRD3ADAMTS5NOTUMALDH1A1
SCHEMBL19002646 0.81 DRD2 (0.55) DRD2DRD3ADAMTS5NOTUMPHGDH
SCHEMBL21169266 0.81 DRD2 (0.55) DRD2DRD3ADAMTS5NOTUMALDH1A1
SCHEMBL15800697 0.81 DRD2 (0.79) DRD2DRD3NOTUMPHGDH
SCHEMBL12377877 0.80 TSHR (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL19002446 0.80 DRD2 (0.60) DRD2DRD3ALDH1A1ESR1KMT2A
SCHEMBL4776950 0.80 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 DRD2 4852/4885DRD3 4860/4885ADAMTS5 2807/4885

“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.