Sugi Predict

Sugi Predict / Compounds / SCHEMBL4141608

SCHEMBL4141608

SCHEMBL4141608

O=C(O)C1CN(C(=O)OCc2ccccc2)CCO1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ CYP2C19 P33261 1/20 0.52
▸ GRIN2B Q13224 4/20 0.52
▸ PDK1 Q15118 1/20 0.49
▸ PREP P48147 1/20 0.46
▸ PDE4B Q07343 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ USP30 Q70CQ3 1/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43

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
SCHEMBL7542859 0.90 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9524815 0.88 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29239224 0.88 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4293531 0.85 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28366638 0.84 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL28731650 0.84 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16985356 0.83 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7020630 0.83 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15697191 0.83 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25111507 0.82 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187518-A1 SUBSTITUTED 4-PIPERIDINYL-IMIDAZO[4,5-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 — — WO disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 — — EP disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
EP-1620109-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 — — EP disclosed
US-20050261253-A1 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. 2005-11-24 — — US disclosed
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 — — EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO disclosed
WO-2004096234-A2 KINASE INHIBITOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 — — WO disclosed
EP-0226267-B1 OXA-, THIA- AND DIAZABICYCLOALKANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BEECHAM GROUP PLC (GB) 1993-01-13 — — EP disclosed
US-4883874-A Azabicyclic intermediates BEECHAM GROUP PLC. OF BEECHAM HOUSE (GB) 1989-11-28 — — US disclosed
US-4826839-A GASTROINTESTINAL DISORDERS, HEADACHES BEECHAM GROUP P.L.C. (GB) 1989-05-02 — — US disclosed
EP-0226267-A1 Oxa-, thia- and diazabicycloalkane derivatives, process for their preparation and their use as pharmaceuticals BEECHAM GROUP PLC (GB) 1987-06-24 — — EP 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 (4 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 MEN1 2856/4885KMT2A 1882/4885NPSR1 2969/4885
US-20050261253-A1 Kinase inhibitory phosphonate analogs PIK3CA, PNKP, PIK3CB MEN1 1456/4885KMT2A 1906/4885NPSR1 3579/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES MEN1 4122/4885KMT2A 4832/4885NPSR1 716/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB MEN1 1456/4885KMT2A 1906/4885NPSR1 3579/4885

“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.