SCHEMBL351419

SCHEMBL351419

CC1(C)CC2(CC(C)(C)P1c1ccccc1-c1cccc3ccccc13)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL24535255 0.89
SCHEMBL370175 0.88 MAOA (0.39) KDM4ESLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL351208 0.86 DHFR (0.32) KDM4ESLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL10177371 0.82 MEN1 (0.31) HPGDSMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL352055 0.81 MAPT (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10280919 0.80 KDM4E (0.32) KDM4ESLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL350079 0.78 NSD2 (0.32) ALDH1A1MAPT
SCHEMBL352304 0.76 HTR7 (0.36) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL366604 0.76 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL370091 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 EP claimed
US-9255074-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-02-09 US claimed
EP-2887941-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Inc. (US) 2015-07-01 EP claimed
US-8895737-B2 Process for preparing antiviral compounds ABBVIE INC. 2014-11-25 US claimed
WO-2014031791-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2014-02-27 WO claimed
US-20130224149-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2013-08-29 US claimed
EP-2593439-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS Abbvie Inc. (US) 2013-05-22 EP claimed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
WO-2012009699-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 WO claimed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-3415504-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2018-12-19 EP disclosed
EP-3056486-B1 PROCESS FOR PREPARING INTERMEDIATES FOR ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
EP-2887941-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE IRELAND UNLIMITED CO (IE) 2018-07-11 EP disclosed
US-9732045-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2017-08-15 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
EP-2593439-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS Abbvie Inc. (US) 2013-05-22 EP disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
WO-2012009699-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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 (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-20130224149-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS KDM4E 3729/4885SLC6A3 1859/4885CHRNA1 4855/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 KDM4E 3762/4885SLC6A3 3906/4885CHRNA1 4403/4885
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, MAVS, RNASE1 KDM4E 3572/4885SLC6A3 1535/4885CHRNA1 4858/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA KDM4E 3814/4885SLC6A3 3119/4885CHRNA1 4392/4885

“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.