SCHEMBL3952508

SCHEMBL3952508

CN1CCN(CCCC=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 3/20 0.40
HIF1A Q16665 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
MEN1 O00255 1/20 0.38
RAD52 P43351 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL16048940 0.93 PAOX (0.50) PAOXSIGMAR1HIF1ATSHRALDH1A1
SCHEMBL7289625 0.86 TSHR (0.56) SIGMAR1HIF1ATSHRALDH1A1
SCHEMBL2561862 0.86 SIGMAR1 (0.46) PAOXSIGMAR1TSHRALDH1A1CSNK2A2
SCHEMBL3955905 0.84 TSHR (0.48) SIGMAR1HIF1ATSHRALDH1A1
SCHEMBL3947828 0.84 TSHR (0.42) HIF1ATSHRALDH1A1
SCHEMBL2592744 0.83 TSHR (0.54) TSHR
SCHEMBL984275 0.81 HRH3 (0.46) PAOXHIF1ATSHR
SCHEMBL986238 0.81 HRH3 (0.46) PAOXHIF1ATSHR
SCHEMBL678406 0.81 HRH3 (0.52) HIF1ATSHRALDH1A1MAPT
SCHEMBL3951701 0.80 HIF1A (0.38) PAOXHIF1ATSHRALDH1A1MEN1

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
EP-2968145-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS Mallinckrodt LLC (US) 2016-01-20 EP claimed
WO-2014160392-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-10-02 WO claimed
US-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS MALLINCKRODT LLC (US) 2014-09-18 US claimed
CN-113214201-B Napapucasin derivatives and pharmaceutical application thereof 毕庶壮 2023-08-15 CN disclosed
WO-2022251191-A1 ONE-COMPONENT DELIVERY SYSTEM FOR NUCLEIC ACIDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-12-01 WO disclosed
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
US-20160250177-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS AND USES THEREOF MALLINCKRODT US POOL LLC 2016-09-01 US disclosed
EP-2968145-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS Mallinckrodt LLC (US) 2016-01-20 EP disclosed
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-12-04 US disclosed
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-12 US disclosed
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-8324410-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-12-04 US disclosed
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 US disclosed
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-07-07 US disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-7432378-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-07 US disclosed
US-20050070550-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (10 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-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 PAOX 3295/4885SIGMAR1 835/4885HIF1A 1056/4885
US-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 PAOX 2515/4885SIGMAR1 613/4885HIF1A 3213/4885
US-20140271822-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS SGMS2, PHOSPHO1, SGMS1 PAOX 2277/4885SIGMAR1 3278/4885HIF1A 2910/4885
US-20160250177-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS AND USES THEREOF LPAR5, LPCAT3, DHCR7 PAOX 1215/4885SIGMAR1 2721/4885HIF1A 2286/4885
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles ABCB11, SLC47A1, ABCB1 PAOX 2984/4885SIGMAR1 907/4885HIF1A 3806/4885
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 PAOX 2515/4885SIGMAR1 613/4885HIF1A 3213/4885
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 PAOX 2515/4885SIGMAR1 613/4885HIF1A 3213/4885
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 PAOX 2515/4885SIGMAR1 613/4885HIF1A 3213/4885
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 PAOX 2984/4885SIGMAR1 907/4885HIF1A 3806/4885
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 PAOX 2984/4885SIGMAR1 907/4885HIF1A 3806/4885

“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.