Sugi Predict

Sugi Predict / Compounds / SCHEMBL228161

SCHEMBL228161

SCHEMBL228161

CC(=O)N[C@H]1CC[C@H](CC=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ EPHX1 P07099 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ TLR4 O00206 1/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL228162 1.00 ATM (0.40) ATMDRD2DRD3KMT2AALDH1A1
SCHEMBL3695403 0.82 POLB (0.39) KMT2AALDH1A1EPHX1HPGDPOLB
SCHEMBL3695399 0.82 POLB (0.39) KMT2AALDH1A1EPHX1HPGDPOLB
SCHEMBL28031007 0.82 POLB (0.39) KMT2AALDH1A1EPHX1HPGDPOLB
SCHEMBL20659690 0.80 DRD2 (0.42) DRD2DRD3HTR2A
SCHEMBL20659693 0.80 DRD2 (0.42) DRD2DRD3HTR2A
SCHEMBL20975400 0.80 ALDH1A1 (0.45) DRD2DRD3KMT2AALDH1A1EPHX1
SCHEMBL2742459 0.80 KMT2A (0.42) ATMDRD2DRD3KMT2AALDH1A1
SCHEMBL14495791 0.80 KMT2A (0.42) ATMDRD2DRD3KMT2AALDH1A1
SCHEMBL11687711 0.79 DRD2 (0.50) ATMDRD2DRD3KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 — — US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 — — US disclosed
EP-3805215-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2021-04-14 — — EP disclosed
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-02-25 — — US disclosed
EP-3468966-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2020-08-05 — — EP disclosed
US-10683302-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2020-06-16 — — US disclosed
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2019-05-16 — — US disclosed
CN-102947310-B Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 — — CN disclosed
CN-102958936-B The pyridine compounds condensed HOFFMAN-LA ROCHE LTD. (CH) 2015-10-21 — — CN disclosed
EP-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 — — EP disclosed
US-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 — — US disclosed
CN-101384581-A Benzoyl-piperidine derivatives as 5HT2/D3 modulators HOFFMANN LA ROCHE (CH) 2009-03-11 — — CN disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 — — EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 — — US disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 — — US disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 — — US disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 — — WO disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 — — WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — 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 (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-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, VDR ATM 2821/4885DRD2 2/4885DRD3 1/4885
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ATM 1655/4885DRD2 4732/4885DRD3 4556/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C ATM 4420/4885DRD2 16/4885DRD3 18/4885
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ATM 1655/4885DRD2 4732/4885DRD3 4556/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 ATM 1655/4885DRD2 4732/4885DRD3 4556/4885
US-10683302-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 ATM 1655/4885DRD2 4732/4885DRD3 4556/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A ATM 4283/4885DRD2 59/4885DRD3 71/4885
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ATM 1655/4885DRD2 4732/4885DRD3 4556/4885

“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.