SCHEMBL3210127

SCHEMBL3210127

C[C@@H]1CN(C(=O)O)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
PDK1 Q15118 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
FKBP1A P62942 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 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
SCHEMBL2854416 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
SCHEMBL20680182 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
SCHEMBL20680545 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL2973089 0.98 SMN1; SMN2 (0.50) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL2973085 0.98 SMN1; SMN2 (0.50) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
Formic Acid SCHEMBL3459143 0.91 SMN1; SMN2 (0.46) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
SCHEMBL15106276 0.83 PKM (0.53) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
SCHEMBL15106278 0.83 PKM (0.53) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
SCHEMBL3892811 0.83 PKM (0.53) SMN1; SMN2PDK1ALDH1A1HPGDNPC1
SCHEMBL15106275 0.83 PKM (0.53) SMN1; SMN2PDK1ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019020763-A1 SEQUANAMYCIN MACROLIDES USEFUL IN THE TREATMENT OF TUBERCULOSIS SANOFI (FR) 2019-01-31 WO claimed
WO-2019020767-A1 SEQUANAMYCIN MACROLIDES USEFUL IN THE TREATMENT OF TUBERCULOSIS SANOFI (FR) 2019-01-31 WO claimed
WO-2019020759-A1 SEQUANAMYCIN MACROLIDES USEFUL IN THE TREATMENT OF TUBERCULOSIS SANOFI (FR) 2019-01-31 WO claimed
EP-2240447-A2 MORPHOLINE DERIVATES AS ANTIOBESITY AGENTS AstraZeneca AB (Publ) (SE) 2010-10-20 EP claimed
WO-2010027564-A2 AMIDO ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-03-11 WO claimed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 US claimed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US claimed
US-20090203695-A1 Compounds IV BIOVITRUM AB (SE) 2009-08-13 US claimed
WO-2009071678-A2 MORPHOLINE DERIVATIVES AS ANTIOBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
EP-1912972-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2008-04-23 EP claimed
WO-2007021794-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2007-02-22 WO claimed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US claimed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-07-06 US disclosed
CN-112996784-A Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2021-06-18 CN disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-20090203695-A1 Compounds IV BIOVITRUM AB (SE) 2009-08-13 US disclosed
WO-2009071678-A2 MORPHOLINE DERIVATIVES AS ANTIOBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 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 (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-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B SMN1; SMN2 1880/4885PDK1 362/4885ALDH1A1 1685/4885
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto SLC18A2, SLC6A2, SLC18A1 SMN1; SMN2 634/4885PDK1 489/4885ALDH1A1 495/4885
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, OAT, MAVS SMN1; SMN2 126/4885PDK1 4863/4885ALDH1A1 4853/4885
US-20090203695-A1 Compounds IV GPR119, FABP4, LIPC SMN1; SMN2 4479/4885PDK1 393/4885ALDH1A1 2629/4885

“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.