Sugi Predict

Sugi Predict / Compounds / SCHEMBL4418134

SCHEMBL4418134

SCHEMBL4418134

CCOC(=O)C(C)C1(C(C)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL28078298 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL1185736 0.73 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL12868735 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL21798176 0.72 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL3384488 0.72 CYP3A4 (0.38) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL17077687 0.71 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL10325796 0.71 CYP3A4 (0.37) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL11409433 0.69 OPRM1 (0.42) ALDH1A1LMNAHSD17B10CYP2C19ALOX15
SCHEMBL29067375 0.69 ALOX15 (0.38) ALDH1A1LMNAHSD17B10CYP2C19CYP2D6
SCHEMBL29067373 0.69 ALOX15 (0.38) ALDH1A1LMNAHSD17B10CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461337-B1 PYRIDO¬2,1-A ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS HOFFMANN LA ROCHE (CH) 2009-10-14 — — EP disclosed
US-6897222-B2 Pyrido[2,1-a]isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-24 — — US disclosed
EP-1461337-A1 PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-29 — — EP disclosed
US-20040176406-A1 Pyrido [2,1-a] isoquinoline derivatives GOBBI LUCA CLAUDIO (CH) 2004-09-09 — — US disclosed
US-6727261-B2 BENZO(A)QUINOLIZINE DERIVATIVES FOR DIABETES AND NON-ISULIN DEPENDENT DIABETES TREATMENT HOFFMAN-LA ROCHE INC. 2004-04-27 — — US disclosed
US-20030149071-A1 Pyrido [2,1-a] isoquinoline derivatives HOFFMANN-LA ROCHE INC. 2003-08-07 — — US disclosed
WO-2003055881-A1 PYRIDO(2,1-A)ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-10 — — 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-20030149071-A1 Pyrido [2,1-a] isoquinoline derivatives DPP4, DPP7, DPP3 ALDH1A1 84/4885LMNA 4651/4885HSD17B10 1095/4885
US-20040176406-A1 Pyrido [2,1-a] isoquinoline derivatives DPP4, DPP7, DPP3 ALDH1A1 84/4885LMNA 4651/4885HSD17B10 1095/4885

“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.