SCHEMBL12995115

SCHEMBL12995115

CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.36
TBK1 Q9UHD2 3/20 0.34
JAK2 O60674 1/20 0.34
S1PR3 Q99500 2/20 0.34
DYRK1A Q13627 1/20 0.32
ACACB O00763 2/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL12994593 1.00 HRH3 (0.36) HRH3TBK1JAK2S1PR3DYRK1A
SCHEMBL13198938 0.98 HRH3 (0.36) HRH3TBK1JAK2S1PR3DYRK1A
SCHEMBL12995606 0.97 S1PR3 (0.35) HRH3TBK1JAK2S1PR3DYRK1A
SCHEMBL12995703 0.97 S1PR3 (0.35) HRH3TBK1JAK2S1PR3DYRK1A
SCHEMBL12995692 0.96 S1PR3 (0.36) HRH3S1PR3DYRK1AACACB
SCHEMBL10096706 0.96 S1PR3 (0.36) HRH3S1PR3DYRK1AACACB
SCHEMBL2886552 0.95 HRH3 (0.37) HRH3TBK1JAK2S1PR3DYRK1A
SCHEMBL13198866 0.94 S1PR3 (0.35) HRH3TBK1JAK2S1PR3DYRK1A
SCHEMBL12995505 0.94 HRH3 (0.36) HRH3TBK1JAK2DYRK1AACACB
SCHEMBL10096715 0.94 MAPK8 (0.36) HRH3S1PR3DYRK1AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885TBK1 1215/4885JAK2 275/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885TBK1 1215/4885JAK2 275/4885

“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.