SCHEMBL14979700

SCHEMBL14979700

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c(ccc3c4c(ccc32)-c2ccc(Cl)cc2CO4)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.44
HCRTR2 O43614 17/20 0.44
PTGES O14684 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6126769 0.90 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL14979634 0.86 PTGES (0.37) HCRTR1HCRTR2PTGES
SCHEMBL14979723 0.81 TSHR (0.40) HCRTR1HCRTR2PTGESMEN1LMNA
SCHEMBL6126763 0.79 TSHR (0.40) HCRTR1HCRTR2PTGESMEN1LMNA
SCHEMBL8752289 0.79 TSHR (0.40) HCRTR1HCRTR2PTGESMEN1LMNA
SCHEMBL15033818 0.79 CYP3A4 (0.56)
SCHEMBL15072183 0.79 CYP3A4 (0.56)
SCHEMBL14979729 0.79 CYP3A4 (0.56)
SCHEMBL15052694 0.79 CYP3A4 (0.56)
SCHEMBL14979663 0.79 CYP3A4 (0.56)

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
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 EP disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 US disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3431477-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2019-01-23 EP disclosed
US-20180186806-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-07-05 US disclosed
US-20140316144-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2014-10-23 US disclosed
US-20140316144-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2014-10-23 US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 US disclosed
US-20130309196-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2013-11-21 US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 US disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 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 (13 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-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20130309196-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20180186806-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20140112885-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HCRTR1 4298/4885HCRTR2 4654/4885PTGES 2784/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HCRTR1 4298/4885HCRTR2 4654/4885PTGES 2784/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20140316144-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HCRTR1 4632/4885HCRTR2 4795/4885PTGES 2945/4885

“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.