SCHEMBL12995173

SCHEMBL12995173

Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)oc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.36
DYRK1A Q13627 1/20 0.35
S1PR3 Q99500 2/20 0.34
BRD4 O60885 1/20 0.34
HRH3 Q9Y5N1 6/20 0.34
JAK2 O60674 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
GRM4 Q14833 1/20 0.33
P2RX3 P56373 2/20 0.32
GRM5 P41594 1/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
TTK P33981 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
SCHEMBL12995311 0.96 DYRK1A (0.34) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL12995103 0.90 FAAH (0.39) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL12995171 0.90 NPY1R (0.35) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL12995108 0.89 NPY1R (0.36) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL10096077 0.89 MAPT (0.38)
SCHEMBL12995459 0.88 EPHX2 (0.40) HRH3
SCHEMBL12995106 0.87 P2RX3 (0.37) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL12995105 0.87 HRH3 (0.33) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL12995179 0.87 NPY1R (0.39) NPY1RDYRK1AS1PR3BRD4HRH3
SCHEMBL12995110 0.86 IDO1 (0.35) NPY1RDYRK1AS1PR3BRD4HRH3

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-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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NPY1R 4557/4885DYRK1A 4875/4885S1PR3 1968/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPY1R 4557/4885DYRK1A 4875/4885S1PR3 1968/4885

“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.