SCHEMBL12995298

SCHEMBL12995298

Cc1cn(C)nc1-c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.35
HRH3 Q9Y5N1 5/20 0.34
DYRK1A Q13627 3/20 0.33
NPY1R P25929 1/20 0.32
BRD4 O60885 1/20 0.32
GSK3B P49841 2/20 0.32
GRM4 Q14833 2/20 0.32
P2RX3 P56373 2/20 0.32
RORC P51449 1/20 0.31
GCK P35557 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL12995161 0.96 S1PR3 (0.35) S1PR3HRH3DYRK1ANPY1RBRD4
SCHEMBL12995293 0.89 DYRK1A (0.34) S1PR3HRH3DYRK1ANPY1RBRD4
SCHEMBL12995300 0.89 GCK (0.36) S1PR3HRH3DYRK1ANPY1RBRD4
SCHEMBL10096730 0.89 NPC1 (0.36)
SCHEMBL12995326 0.87 S1PR3 (0.37) S1PR3HRH3DYRK1ANPY1RP2RX3
SCHEMBL12995313 0.87 HRH3 (0.33) S1PR3HRH3DYRK1ANPY1RBRD4
SCHEMBL12995450 0.87 AURKA (0.38) HRH3
SCHEMBL13053606 0.87 HRH3 (0.36) S1PR3HRH3DYRK1AGRM4RORC
SCHEMBL12995296 0.86 HRH3 (0.34) S1PR3HRH3DYRK1ANPY1RBRD4
SCHEMBL12995221 0.86 HRH3 (0.39) S1PR3HRH3

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 S1PR3 1968/4885HRH3 3336/4885DYRK1A 4875/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885HRH3 3336/4885DYRK1A 4875/4885

“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.