SCHEMBL12995281

SCHEMBL12995281

Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)no1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HRH3 Q9Y5N1 6/20 0.34
S1PR3 Q99500 2/20 0.33
NPY1R P25929 1/20 0.33
BRD4 O60885 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
DYRK1A Q13627 1/20 0.32
IDH1 O75874 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
SCHEMBL12995106 0.96 P2RX3 (0.37) P2RX3LMNAHPGDHTTHRH3
SCHEMBL12995280 0.92 ALDH1A1 (0.38) LMNAHTTHRH3S1PR3
SCHEMBL12995282 0.90 S1PR3 (0.33) P2RX3HRH3S1PR3NPY1RBRD4
SCHEMBL12995319 0.89 NPY1R (0.33) P2RX3HRH3S1PR3NPY1RBRD4
SCHEMBL10096104 0.89 LMNA (0.38) LMNAHPGDHTT
SCHEMBL12995279 0.88 FAAH (0.38) P2RX3HRH3S1PR3NPY1RBRD4
SCHEMBL12995313 0.88 HRH3 (0.33) P2RX3HRH3S1PR3NPY1RBRD4
SCHEMBL12995287 0.88 IDO1 (0.34) P2RX3HRH3S1PR3NPY1RBRD4
SCHEMBL13053606 0.88 HRH3 (0.36) HRH3S1PR3DYRK1A
SCHEMBL12995311 0.88 DYRK1A (0.34) P2RX3HRH3S1PR3NPY1RBRD4

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 P2RX3 1676/4885LMNA 1012/4885HPGD 3255/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS P2RX3 1676/4885LMNA 1012/4885HPGD 3255/4885

“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.