SCHEMBL1781470

SCHEMBL1781470

CN1C2CCCC1CC(NC=O)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.52
ADH1A P07327 4/20 0.52
ADH1C P00326 3/20 0.52
ADH7 P40394 2/20 0.52
ADH4 P08319 1/20 0.45
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 1/20 0.41
CHRNB4 P30926 1/20 0.41
HRH1 P35367 1/20 0.41
CHRNA7 P36544 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL13189336 1.00 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL4132984 0.92 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL6183384 0.74 ALDH1A1 (0.46) HTR3EHTR3BCHRNB2CHRNA3CHRNA4
SCHEMBL9381779 0.74 HTR3E (0.46) HTR3EHTR3BCHRNB2CHRNA3CHRNA4
SCHEMBL3582332 0.74 HTR3E (0.46) HTR3EHTR3BCHRNB2CHRNA3CHRNA4
SCHEMBL17170586 0.72 HTR3E (0.45) HTR3EHTR3BCHRNB2CHRNA3CHRNA4
SCHEMBL3438642 0.72
SCHEMBL1781469 0.72 HTR3E (0.41) HTR3EHTR3BCHRNB2CHRNA3CHRNA4
SCHEMBL4756059 0.71 ALDH1A1 (0.50) HTR3EHTR3BCHRNB2CHRNA3CHRNA4
SCHEMBL15632467 0.71 ALDH1A1 (0.68) HTR3EHTR3BCHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US claimed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP claimed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO claimed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ADH1B 4400/4885ADH1A 3780/4885ADH1C 3268/4885

“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.