SCHEMBL12995103

SCHEMBL12995103

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
NPY1R P25929 1/20 0.34
HRH3 Q9Y5N1 8/20 0.34
MAPK14 Q16539 1/20 0.34
IDO1 P14902 1/20 0.34
S1PR3 Q99500 2/20 0.33
BRD4 O60885 1/20 0.33
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 3/20 0.32
P2RX2 Q9UBL9 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
SCHEMBL12995279 0.96 FAAH (0.38) FAAHEPHX2NPY1RHRH3MAPK14
SCHEMBL12995105 0.92 HRH3 (0.33) FAAHEPHX2NPY1RHRH3S1PR3
SCHEMBL12995173 0.90 NPY1R (0.36) NPY1RHRH3S1PR3BRD4DYRK1A
SCHEMBL12995171 0.89 NPY1R (0.35) NPY1RHRH3S1PR3BRD4DYRK1A
SCHEMBL10096067 0.88 IDO1 (0.37) FAAHEPHX2MAPK14IDO1BRD4
SCHEMBL12995108 0.88 NPY1R (0.36) NPY1RHRH3S1PR3BRD4DYRK1A
SCHEMBL12995106 0.88 P2RX3 (0.37) NPY1RHRH3S1PR3BRD4DYRK1A
SCHEMBL12995428 0.88 EPHX2 (0.51) FAAHEPHX2HRH3NPC1RAB9A
SCHEMBL12995277 0.88 HRH3 (0.33) FAAHEPHX2HRH3S1PR3BRD4
SCHEMBL12995202 0.87 NPY1R (0.36) NPY1RHRH3S1PR3BRD4DYRK1A

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 2630/4885NPY1R 4557/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS FAAH 3963/4885EPHX2 2630/4885NPY1R 4557/4885

“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.