SCHEMBL8749971

SCHEMBL8749971

O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc(Br)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.50
AADAT Q8N5Z0 1/20 0.46
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL4524622 0.86 PRCP (0.59)
SCHEMBL12175006 0.86 PRCP (0.55)
SCHEMBL205415 0.86 PRCP (0.55)
SCHEMBL2708434 0.86 PRCP (0.55)
SCHEMBL12160098 0.85 PRCP (0.61)
SCHEMBL30259123 0.85 PREP (0.47) PREPAADATTMEM97SIGMAR1TSHR
SCHEMBL12174996 0.85 PRCP (0.61)
SCHEMBL12160053 0.85 PRCP (0.61)
SCHEMBL16511508 0.83 PRCP (0.52)
SCHEMBL6126744 0.82 PRCP (0.51) AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 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 (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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885AADAT 2303/4885TMEM97 3246/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885AADAT 2303/4885TMEM97 3246/4885

“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.