SCHEMBL754151

SCHEMBL754151

Cc1cc(CCc2ccc(F)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.51
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
UHRF1 Q96T88 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
WNT3A P56704 1/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.40
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
AOC3 Q16853 1/20 0.39
ELOVL1 Q9BW60 2/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL4355540 0.86 UHRF1 (0.54) NR3C2UHRF1FFAR1DYRK1AKCNQ2
SCHEMBL25918287 0.85 UHRF1 (0.42) NR3C2PTGS1PTGS2UHRF1WNT3A
SCHEMBL1563414 0.81 NR3C2 (0.49) NR3C2UHRF1FFAR1KCNQ2
Bromide SCHEMBL11513156 0.79 NR3C2 (0.47) NR3C2UHRF1FFAR1KCNQ2
Bromide SCHEMBL10618379 0.79 NR3C2 (0.47) NR3C2UHRF1FFAR1KCNQ2
SCHEMBL4358691 0.78 UHRF1 (0.50) NR3C2UHRF1FFAR1DYRK1AKCNQ2
SCHEMBL487318 0.76 UHRF1 (0.48) NR3C2UHRF1FFAR1DYRK1AKCNQ2
SCHEMBL25211830 0.76 FFAR1 (0.49) NR3C2FFAR1
SCHEMBL26944235 0.76 UHRF1 (0.43) NR3C2UHRF1WNT3AFFAR1DYRK1A
SCHEMBL13754972 0.75 PTGS1 (0.46) NR3C2PTGS1PTGS2TAAR1HTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT NR3C2 1508/4885PTGS1 2968/4885PTGS2 3738/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR3C2 1110/4885PTGS1 2889/4885PTGS2 3754/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR3C2 1110/4885PTGS1 2889/4885PTGS2 3754/4885

“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.