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Sugi Predict / Compounds / SCHEMBL1944901

SCHEMBL1944901

SCHEMBL1944901

CC(C)(C)OC(=O)N1CCN(C(=O)O)C(CO)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.49
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ SETD7 Q8WTS6 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ GPR119 Q8TDV5 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
SCHEMBL28942832 1.00 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1184434 0.91 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL18850 0.91 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL780271 0.91 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL22806221 0.89 NR1H2 (0.43) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL30111484 0.88 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL16931340 0.88 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1183970 0.88 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL31297386 0.88 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL16931277 0.88 NR1H2 (0.49) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015409-A1 CHROMAN DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-18 — — WO disclosed
WO-2024015406-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-18 — — WO disclosed
EP-4294800-A1 APOL1 INHIBITORS AND METHODS OF USE Maze Therapeutics, Inc. (US) 2023-12-27 — — EP disclosed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US disclosed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 — — EP disclosed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 — — US disclosed
EP-3027593-A2 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-06-08 — — EP disclosed
WO-2015017393-A2 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 — — WO disclosed
WO-2015013835-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 — — WO disclosed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP disclosed
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 — — US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 — — US disclosed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 — — US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 — — US disclosed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 — — US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 — — US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 — — 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 (6 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A NR1H2 686/4885MEN1 332/4885ALDH1A1 4268/4885
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NR1H2 138/4885MEN1 4557/4885ALDH1A1 3238/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NR1H2 138/4885MEN1 4557/4885ALDH1A1 3238/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 NR1H2 129/4885MEN1 4671/4885ALDH1A1 3388/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 NR1H2 109/4885MEN1 4638/4885ALDH1A1 3415/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 NR1H2 2173/4885MEN1 559/4885ALDH1A1 4142/4885

“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.