SCHEMBL9977153

SCHEMBL9977153

COC(=O)c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.42
OPRK1 P41145 9/20 0.39
KCNH2 Q12809 2/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGDS O60760 5/20 0.38
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL19339499 0.86 SCN3A (0.39) SCN10AOPRK1KCNH2NR1I2ABCB11
SCHEMBL203528 0.79 PRCP (0.49) OPRK1KCNH2NR1I2ABCB11CYP3A4
SCHEMBL2706096 0.79 PRCP (0.49) OPRK1KCNH2NR1I2ABCB11CYP3A4
SCHEMBL18462247 0.79 PRCP (0.49) OPRK1KCNH2NR1I2ABCB11CYP3A4
SCHEMBL9977148 0.78 RPS6KB1 (0.41) SCN10AKCNH2HPGDS
SCHEMBL16577384 0.76 RPS6KB1 (0.46) SCN10AKCNH2HPGDS
SCHEMBL10034775 0.76 SLC6A4 (0.45) SCN10AKCNH2HPGDS
SCHEMBL9977151 0.75 RPS6KB1 (0.39) SCN10AKCNH2HPGDS
SCHEMBL9977152 0.75 RPS6KB1 (0.39) SCN10AKCNH2HPGDS
SCHEMBL9977150 0.73 HPGDS (0.43) SCN10AOPRK1KCNH2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SCN10A 4642/4885OPRK1 2034/4885KCNH2 4228/4885

“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.