SCHEMBL423346

SCHEMBL423346

CC(C)NCCOC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTR1B P28222 3/20 0.36
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
Propane SCHEMBL28109760 0.95 ALDH1A1 (0.37) ALDH1A1HTR1BEPHX2TSHRL3MBTL1
SCHEMBL2754824 0.87 ALDH1A1 (0.33) ALDH1A1HTR1B
SCHEMBL22702566 0.85 ALDH1A1 (0.35) ALDH1A1EPHX2TSHRL3MBTL1SMN1; SMN2
SCHEMBL15980865 0.85 KDM4E (0.39) ALDH1A1HTR1BEPHX2ADRB2ADRB1
SCHEMBL15980866 0.85 KDM4E (0.39) ALDH1A1HTR1BEPHX2ADRB2ADRB1
SCHEMBL25053660 0.85 KDM4E (0.39) ALDH1A1HTR1BEPHX2ADRB2ADRB1
SCHEMBL15980862 0.85 KDM4E (0.39) ALDH1A1HTR1BEPHX2ADRB2ADRB1
SCHEMBL21106553 0.85 KDM4E (0.39) ALDH1A1HTR1BEPHX2ADRB2ADRB1
SCHEMBL12703408 0.84 ALDH1A1 (0.50) ALDH1A1HTR1BTSHRL3MBTL1ADRB2
SCHEMBL24477365 0.82 ALDH1A1 (0.44) ALDH1A1HTR1BADRB2NR2E1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640724-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-25 EP claimed
US-20130245006-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-19 US claimed
WO-2012066234-A9 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-11-01 WO claimed
WO-2012066234-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 WO claimed
EP-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 EP disclosed
EP-4310496-A2 COMPOUNDS FOR TAU PROTEIN DEGRADATION Dana-Farber Cancer Institute, Inc. (US) 2024-01-24 EP disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-11732008-B2 Preparation of functional homocysteine residues in polypeptides and peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-22 US disclosed
WO-2023144379-A1 HIGH-AFFINITY LIGANDS OF FIBROBLAST ACTIVATION PROTEIN FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2023-08-03 WO disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 US disclosed
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1562574-A1 2-OXO-ETHANESULFONAMIDE DERIVATES Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004041264-A1 2-OXO-ETHANESULFONAMIDE DERIVATES ASTRAZENECA AB (SE) 2004-05-21 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 (9 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 ALDH1A1 3312/4885HTR1B 3483/4885EPHX2 2155/4885
US-20130245006-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF INMT, TPH2, IDO2 ALDH1A1 1356/4885HTR1B 14/4885EPHX2 3024/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 ALDH1A1 250/4885HTR1B 2831/4885EPHX2 1918/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R ALDH1A1 918/4885HTR1B 3009/4885EPHX2 1891/4885
US-20060058315-A1 2-Oxo-ethanesulfonamide derivates HSD11B1, HSD3B1, HSD11B2 ALDH1A1 65/4885HTR1B 626/4885EPHX2 405/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HTR1B 3501/4885EPHX2 1890/4885
US-11732008-B2 Preparation of functional homocysteine residues in polypeptides and peptides BHMT2, BHMT, PTMS ALDH1A1 4389/4885HTR1B 840/4885EPHX2 2271/4885
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS ALDH1A1 2740/4885HTR1B 2935/4885EPHX2 3619/4885
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA ALDH1A1 3411/4885HTR1B 4034/4885EPHX2 4135/4885

“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.