SCHEMBL12995161

SCHEMBL12995161

Cc1cn(C)nc1-c1c(-c2ccc(NC(=O)OC(C)C)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.35
NPY1R P25929 1/20 0.35
HRH3 Q9Y5N1 5/20 0.34
DYRK1A Q13627 3/20 0.33
NR1H4 Q96RI1 2/20 0.33
GSK3B P49841 2/20 0.33
BRD4 O60885 1/20 0.33
GRM4 Q14833 1/20 0.33
P2RX3 P56373 2/20 0.32
MAPK14 Q16539 1/20 0.32
GCK P35557 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
SCHEMBL12995298 0.96 S1PR3 (0.35) S1PR3NPY1RHRH3DYRK1AGSK3B
SCHEMBL12995162 0.89 NPY1R (0.35) S1PR3NPY1RHRH3DYRK1AGSK3B
SCHEMBL12995164 0.89 GCK (0.37) S1PR3NPY1RHRH3DYRK1AGSK3B
SCHEMBL10096086 0.89 NPC1 (0.37) MAPK14
SCHEMBL12995450 0.88 AURKA (0.38) HRH3
SCHEMBL12995211 0.87 S1PR3 (0.38) S1PR3NPY1RHRH3P2RX3
SCHEMBL12995171 0.87 NPY1R (0.35) S1PR3NPY1RHRH3DYRK1ABRD4
SCHEMBL12994970 0.86 HRH3 (0.40) S1PR3NPY1RHRH3
SCHEMBL12995087 0.86 HRH3 (0.39) S1PR3NPY1RHRH3DYRK1A
SCHEMBL12995106 0.86 P2RX3 (0.37) S1PR3NPY1RHRH3DYRK1ABRD4

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 S1PR3 1968/4885NPY1R 4557/4885HRH3 3336/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885NPY1R 4557/4885HRH3 3336/4885

“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.