SCHEMBL31010354

SCHEMBL31010354

c1cnn(-c2ccc(CN3CCCCC3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.70
DRD4 P21917 1/20 0.70
DRD3 P35462 1/20 0.70
HRH3 Q9Y5N1 2/20 0.56
NOTUM Q6P988 1/20 0.53
CHEK1 O14757 1/20 0.52
CDK7 P50613 1/20 0.52
HRH4 Q9H3N8 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PDE2A O00408 1/20 0.49
CHRM1 P11229 1/20 0.48
CHRNA7 P36544 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP3 Q9Y6F1 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
SCHEMBL31010088 0.84 DRD2 (0.54) DRD2DRD4DRD3CHEK1CDK7
SCHEMBL25658283 0.82 DRD4 (1.00) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL28331995 0.79 HRH3 (0.57) DRD2DRD4DRD3HRH3HRH4
SCHEMBL6097276 0.78 HRH3 (0.57) DRD2DRD4DRD3HRH3CHEK1
SCHEMBL28181607 0.77 NOTUM (0.59) DRD2DRD4DRD3NOTUMALDH1A1
SCHEMBL23389916 0.76 DRD2 (0.59) DRD2DRD4DRD3NOTUMCHEK1
SCHEMBL711055 0.76 NOTUM (0.63) DRD2DRD4DRD3NOTUMALDH1A1
SCHEMBL13737026 0.76 CHRNA7 (0.60) DRD2DRD4DRD3HRH3NOTUM
SCHEMBL597565 0.76 PSMB1 (0.55) HRH3CHRNB2CHRNA4
SCHEMBL30363993 0.76 GAA (0.55) DRD2DRD4DRD3HRH3HRH4

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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 DRD2 3504/4885DRD4 3620/4885DRD3 4024/4885

“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.