Sugi Predict

Sugi Predict / Compounds / SCHEMBL3948310

SCHEMBL3948310

SCHEMBL3948310

CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPFFR1 Q9GZQ6 1/20 0.40
▸ NPFFR2 Q9Y5X5 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ HTR4 Q13639 1/20 0.39
▸ DRD2 P14416 4/20 0.39
▸ DRD4 P21917 4/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ BCHE P06276 2/20 0.37
▸ SCD O00767 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL4353262 1.00 KMT2A (0.47) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL13631063 1.00 KMT2A (0.47) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL4297275 0.89 HTR4 (0.41) KMT2AL3MBTL1HTR4DRD2DRD4
SCHEMBL4297271 0.89 HTR4 (0.41) KMT2AL3MBTL1HTR4DRD2DRD4
SCHEMBL7825126 0.86 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL8741001 0.86 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL7825124 0.86 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL7825129 0.86 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL763170 0.83 KMT2A (0.52) KMT2AL3MBTL1NPFFR1NPFFR2JAK1
SCHEMBL3187533 0.82 KMT2A (0.55) KMT2AL3MBTL1NPFFR1NPFFR2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 — — EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — 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 (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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 KMT2A 4668/4885L3MBTL1 4439/4885NPFFR1 1538/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 KMT2A 4507/4885L3MBTL1 3320/4885NPFFR1 1999/4885

“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.