Sugi Predict

Sugi Predict / Compounds / SCHEMBL3903151

SCHEMBL3903151

SCHEMBL3903151

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CO)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.55
▸ DRD2 P14416 6/20 0.48
▸ NR1H2 P55055 1/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CTSK P43235 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL3906349 1.00 BTK (0.55) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL3901032 1.00 BTK (0.55) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL6510047 1.00 BTK (0.55) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL16295450 1.00 BTK (0.55) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL19156343 1.00 BTK (0.55) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL1155174 1.00 BTK (0.55) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL25319683 0.91 BTK (0.64) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL941984 0.91 BTK (0.64) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL2377443 0.91 BTK (0.64) BTKDRD2NR1H2KDM1AMAOB
SCHEMBL21027650 0.91 BTK (0.64) BTKDRD2NR1H2KDM1AMAOB

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 — — US claimed
EP-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 — — EP disclosed
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 — — US disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 — — WO disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 — — US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 — — US disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 — — EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 — — US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 — — US disclosed
US-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections VERSICOR, INC. 2003-07-03 — — US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 — — US disclosed
EP-0644872-B1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA GEIGY AG (CH) 1997-03-19 — — EP disclosed
US-5516806-A ANTITUMOR CIBA-GEIGY CORPORATION (US) 1996-05-14 — — US disclosed
EP-0644872-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. CIBA GEIGY AG (CH) 1995-03-29 — — EP disclosed
WO-1994024093-A1 ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS CIBA-GEIGY AG (CH) 1994-10-27 — — 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 (8 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-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections BCAT2, BCAT1, AADAT BTK 1329/4885DRD2 3053/4885NR1H2 2560/4885
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 BTK 4850/4885DRD2 4464/4885NR1H2 332/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B BTK 352/4885DRD2 1561/4885NR1H2 3827/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 BTK 1242/4885DRD2 2592/4885NR1H2 2769/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B BTK 352/4885DRD2 1561/4885NR1H2 3827/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 BTK 4847/4885DRD2 4497/4885NR1H2 190/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 BTK 1242/4885DRD2 2592/4885NR1H2 2769/4885
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 BTK 3888/4885DRD2 3398/4885NR1H2 4436/4885

“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.