SCHEMBL3071572

SCHEMBL3071572

CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.51
TRPV1 Q8NER1 6/20 0.47
GHSR Q92847 1/20 0.46
CYP3A4 P08684 8/20 0.44
CYP2C19 P33261 8/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL3071576 1.00 FAAH (0.51) FAAHTRPV1GHSRCYP3A4CYP2C19
SCHEMBL3775772 0.98 FAAH (0.48) FAAHTRPV1GHSRCYP3A4CYP2C19
SCHEMBL3775768 0.98 FAAH (0.48) FAAHTRPV1GHSRCYP3A4CYP2C19
SCHEMBL5065679 0.86 GHSR (0.46) FAAHTRPV1GHSRCYP3A4CYP2C19
SCHEMBL2156573 0.86 GHSR (0.46) FAAHTRPV1GHSRCYP3A4CYP2C19
SCHEMBL27658921 0.85 FAAH (0.49) FAAHTRPV1GHSRCYP3A4CYP2C19
SCHEMBL772183 0.84 GHSR (0.46) FAAHTRPV1GHSRCYP3A4ALDH1A1
SCHEMBL12463926 0.83 ALDH1A1 (0.47) FAAHTRPV1CYP3A4CYP2C19ALDH1A1
SCHEMBL13476046 0.81 CYP3A4 (0.49) FAAHTRPV1CYP3A4CYP2C19ALDH1A1
SCHEMBL6268190 0.81 FAAH (0.63) FAAHTRPV1GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 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 (4 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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 FAAH 2296/4885TRPV1 4206/4885GHSR 856/4885
US-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L FAAH 4105/4885TRPV1 1609/4885GHSR 1348/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 FAAH 1799/4885TRPV1 4871/4885GHSR 3700/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 FAAH 1799/4885TRPV1 4871/4885GHSR 3700/4885

“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.