SCHEMBL8749072

SCHEMBL8749072

COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)-c1ccc(Br)cc1CC2)C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL6126794 0.92 HCRTR1 (0.36) CYP3A4CYP2C9CYP1A2CYP2D6AAK1
SCHEMBL22361272 0.92 HCRTR1 (0.36) CYP3A4CYP2C9CYP1A2CYP2D6AAK1
SCHEMBL2709197 0.86 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL10177989 0.83 CYP3A4 (0.51) CYP3A4CYP2C9
SCHEMBL10178044 0.82 CYP3A4 (0.64) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL10146104 0.82 CYP3A4 (0.46) CYP3A4
SCHEMBL21144988 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL21144592 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL8749869 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2
SCHEMBL15430763 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2D6NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
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 CYP3A4 1770/4885CYP2C9 3296/4885CYP1A2 3826/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885CYP1A2 3826/4885

“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.