SCHEMBL12995279

SCHEMBL12995279

Cc1nnc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)o1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 7/20 0.33
IDO1 P14902 1/20 0.33
MAPK14 Q16539 1/20 0.33
S1PR3 Q99500 2/20 0.32
BRD4 O60885 1/20 0.32
RORC P51449 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPY1R P25929 1/20 0.31
P2RX3 P56373 3/20 0.31
P2RX2 Q9UBL9 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 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
SCHEMBL12995103 0.96 FAAH (0.39) FAAHEPHX2HRH3IDO1MAPK14
SCHEMBL12995277 0.92 HRH3 (0.33) FAAHEPHX2HRH3S1PR3BRD4
SCHEMBL12995311 0.90 DYRK1A (0.34) HRH3S1PR3BRD4RORCDYRK1A
SCHEMBL12995313 0.89 HRH3 (0.33) HRH3S1PR3BRD4RORCDYRK1A
SCHEMBL10096107 0.89 IDO1 (0.36) FAAHEPHX2IDO1MAPK14
SCHEMBL12995282 0.88 S1PR3 (0.33) HRH3S1PR3BRD4RORCDYRK1A
SCHEMBL12995281 0.88 P2RX3 (0.36) HRH3S1PR3BRD4DYRK1ANPY1R
SCHEMBL12995105 0.88 HRH3 (0.33) FAAHEPHX2HRH3S1PR3BRD4
SCHEMBL13053606 0.87 HRH3 (0.36) HRH3S1PR3RORCDYRK1A
SCHEMBL13152823 0.87 IDO1 (0.36) FAAHEPHX2IDO1MAPK14RORC

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 FAAH 3963/4885EPHX2 2630/4885HRH3 3336/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS FAAH 3963/4885EPHX2 2630/4885HRH3 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.