SCHEMBL21169266

SCHEMBL21169266

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
DRD3 P35462 2/20 0.55
NOTUM Q6P988 1/20 0.51
PHGDH O43175 1/20 0.49
MGLL Q99685 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
PDK2 Q15119 1/20 0.46
CHRM4 P08173 2/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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) DRD2DRD3NOTUMPHGDHADAMTS5
SCHEMBL23467841 0.84 DRD2 (0.55) DRD2DRD3NOTUMPHGDHMGLL
SCHEMBL5763718 0.83 DRD2 (0.60) DRD2DRD3NOTUMPHGDHADAMTS5
SCHEMBL19002652 0.81 DRD2 (0.61) DRD2DRD3NOTUMPHGDHADAMTS5
SCHEMBL19002646 0.81 DRD2 (0.55) DRD2DRD3NOTUMPHGDHADAMTS5
SCHEMBL15800697 0.81 DRD2 (0.79) DRD2DRD3NOTUMPHGDHKDM4E
SCHEMBL22054793 0.80 ALDH1A1 (0.57) NOTUMPDK2LMNATSHRMAPK1
SCHEMBL13136128 0.80 LMNA (0.66) LMNATSHRMAPK1RECQLNPSR1
SCHEMBL19701982 0.79 NOTUM (0.54) NOTUMPDK2LMNATSHRMAPK1
SCHEMBL14020487 0.79 SMN1; SMN2 (0.54) ADAMTS5PDK2LMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (2 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 DRD2 4783/4885DRD3 4791/4885NOTUM 2424/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 DRD2 4852/4885DRD3 4860/4885NOTUM 3394/4885

“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.