SCHEMBL882340

SCHEMBL882340

C=CCCC[C@@H]1CCC[C@@]1(C)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15096202 1.00 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL877918 1.00 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL15094488 1.00 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL15094487 1.00 CHRNB2 (0.33) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL10092278 0.89 ALDH1A1 (0.31) ALDH1A1TSHRMEN1CYP3A4MAPT
SCHEMBL10092280 0.89 ALDH1A1 (0.31) ALDH1A1TSHRMEN1CYP3A4MAPT
SCHEMBL3703449 0.80 TSHR (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL10092275 0.80 TSHR (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL15412875 0.80 TSHR (0.36) CHRNB2CHRNA7CHRNA4ALDH1A1TSHR
SCHEMBL15423605 0.79 TRPA1 (0.40)

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
US-10603318-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2020-03-31 US disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2019-01-10 US disclosed
EP-3159345-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-01-09 EP disclosed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
WO-2012040040-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-29 WO disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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 (6 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC CHRNB2 4882/4885CHRNA7 4866/4885CHRNA4 4881/4885
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 CHRNB2 4881/4885CHRNA7 4866/4885CHRNA4 4882/4885
US-20190008858-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CHRNB2 4833/4885CHRNA7 4685/4885CHRNA4 4845/4885
US-10603318-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 CHRNB2 4833/4885CHRNA7 4685/4885CHRNA4 4845/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CHRNB2 4833/4885CHRNA7 4685/4885CHRNA4 4845/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 CHRNB2 4833/4885CHRNA7 4685/4885CHRNA4 4845/4885

“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.