Sugi Predict

Sugi Predict / Compounds / SCHEMBL79421

SCHEMBL79421

SCHEMBL79421

CN(C)C(=O)COC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ CYP2C19 P33261 1/20 0.57
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ GRIN2B Q13224 9/20 0.49
▸ CYP2D6 P10635 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ F13A1 P00488 1/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ TGM1 P22735 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ ENPP2 Q13822 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
SCHEMBL13677224 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL77520 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL12425238 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2009867 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4111065 0.84 HTT (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL79596 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19023351 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13676897 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19023194 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19022988 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 — — US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 — — US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 — — US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 — — US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 — — EP disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 — — US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 — — WO disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 — — US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 — — 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA SMN1; SMN2 3505/4885NPC1 1819/4885RAB9A 2944/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA SMN1; SMN2 3505/4885NPC1 1819/4885RAB9A 2944/4885

“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.