SCHEMBL12995175

SCHEMBL12995175

Cc1csc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
NPY1R P25929 2/20 0.36
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
P2RX3 P56373 4/20 0.32
P2RX2 Q9UBL9 2/20 0.32
BRD4 O60885 1/20 0.32
S1PR3 Q99500 1/20 0.32
GRM4 Q14833 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
SCHEMBL12995314 0.96 GRM5 (0.38) GRM5NPY1RGSK3BDYRK1AHRH3
SCHEMBL12995196 0.91 HRH3 (0.34) NPY1RHRH3P2RX3P2RX2BRD4
SCHEMBL12995179 0.89 NPY1R (0.39) NPY1RGSK3BDYRK1AHRH3P2RX3
SCHEMBL12995201 0.89 GSK3B (0.42) GRM5NPY1RGSK3BDYRK1AHRH3
SCHEMBL12995463 0.88 GRM5 (0.39) GRM5
SCHEMBL10096093 0.88 POLB (0.36)
SCHEMBL12995171 0.88 NPY1R (0.35) GRM5NPY1RDYRK1AHRH3P2RX3
SCHEMBL12995315 0.87 HRH3 (0.34) HRH3P2RX3P2RX2BRD4S1PR3
SCHEMBL12995106 0.87 P2RX3 (0.37) NPY1RDYRK1AHRH3P2RX3BRD4
SCHEMBL12995203 0.85 NPY1R (0.35) NPY1RGSK3BDYRK1AHRH3S1PR3

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 GRM5 2676/4885NPY1R 4557/4885GSK3B 846/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GRM5 2676/4885NPY1R 4557/4885GSK3B 846/4885

“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.