SCHEMBL12995106

SCHEMBL12995106

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPY1R P25929 1/20 0.36
HRH3 Q9Y5N1 5/20 0.34
S1PR3 Q99500 2/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
DYRK1A Q13627 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL12995281 0.96 P2RX3 (0.36) P2RX3LMNAHPGDHTTNPY1R
SCHEMBL12995107 0.92 ALDH1A1 (0.38) LMNAHTTNPY1RHRH3MAPT
SCHEMBL12995108 0.90 NPY1R (0.36) P2RX3NPY1RHRH3S1PR3BRD4
SCHEMBL12995202 0.89 NPY1R (0.36) P2RX3HPGDNPY1RHRH3S1PR3
SCHEMBL10096068 0.88 LMNA (0.39) LMNAHPGDHTTBRD4MAPT
SCHEMBL12995171 0.88 NPY1R (0.35) P2RX3HPGDNPY1RHRH3S1PR3
SCHEMBL12995103 0.88 FAAH (0.39) P2RX3HPGDNPY1RHRH3S1PR3
SCHEMBL12995426 0.88 EPHX2 (0.39) LMNAHPGDHTT
SCHEMBL12995109 0.88 HRH3 (0.35) LMNAHPGDNPY1RHRH3S1PR3
SCHEMBL12995110 0.88 IDO1 (0.35) P2RX3NPY1RHRH3S1PR3BRD4

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.