SCHEMBL755404

SCHEMBL755404

CO/C=C/CCc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
AOC3 Q16853 2/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOB P27338 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ELOVL1 Q9BW60 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC2 O75106 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL755405 1.00 TAAR1 (0.42) TAAR1IDO1AGXTAOC3PTGS1
SCHEMBL23188649 0.82 CYP1A2 (0.43) TAAR1IDO1AGXTMAPT
SCHEMBL5085202 0.80 GPR52 (0.47) MAOB
SCHEMBL17748403 0.78 KCNH2 (0.42) L3MBTL1MEN1KMT2A
SCHEMBL17748402 0.78 KCNH2 (0.42) L3MBTL1MEN1KMT2A
SCHEMBL9457648 0.77 GPR52 (0.33)
SCHEMBL9457643 0.77 GPR52 (0.33)
SCHEMBL2268709 0.76 MAOB (0.50) TAAR1IDO1AGXTMAOBMEN1
SCHEMBL8499394 0.75 ALDH1A1 (0.50) PTGS1KDM4EPOLBALDH1A1
SCHEMBL8499393 0.75 ALDH1A1 (0.50) PTGS1KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TAAR1 3797/4885IDO1 94/4885AGXT 1067/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TAAR1 3797/4885IDO1 94/4885AGXT 1067/4885

“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.