SCHEMBL1781234

SCHEMBL1781234

CN(C)C1CCC(NC=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.64
ADH1B P00325 4/20 0.64
ADH1C P00326 5/20 0.52
ADH7 P40394 2/20 0.52
ADH4 P08319 2/20 0.50
IRAK4 Q9NWZ3 14/20 0.31

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
SCHEMBL21997344 0.80 ADH1B (1.00) ADH1AADH1BADH1CADH7ADH4
SCHEMBL115609 0.80
SCHEMBL19658308 0.80 ADH1B (1.00) ADH1AADH1BADH1CADH7ADH4
SCHEMBL27343431 0.79 ADH1B (0.46) ADH1AADH1BADH1CADH7ADH4
SCHEMBL27417216 0.77 IRAK4 (0.35) ADH1AADH1BIRAK4
Hydrochloric Acid SCHEMBL4095046 0.77
Hydrochloric Acid SCHEMBL9205102 0.77
SCHEMBL4917512 0.77 ADH1A (0.58) ADH1AADH1BADH1CADH7ADH4
Dimethylcarbate SCHEMBL11114306 0.76 ADH1B (0.61) ADH1AADH1BADH1CADH7ADH4
SCHEMBL21088347 0.75 ADH1B (0.88) ADH1AADH1BADH1CADH7ADH4

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-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
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

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 ADH1A 3780/4885ADH1B 4400/4885ADH1C 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.