SCHEMBL12995163

SCHEMBL12995163

CC(C)OC(=O)Nc1ccc(-c2c(-c3cc[nH]n3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.36
DYRK1A Q13627 5/20 0.35
HRH3 Q9Y5N1 7/20 0.34
S1PR3 Q99500 2/20 0.33
LRRK2 Q5S007 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
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
GSK3B P49841 3/20 0.32
NR1I3 Q14994 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 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
SCHEMBL12995295 0.96 DYRK1A (0.35) NPY1RDYRK1AHRH3S1PR3LRRK2
SCHEMBL12995109 0.89 HRH3 (0.35) NPY1RDYRK1AHRH3S1PR3LRRK2
SCHEMBL12995164 0.89 GCK (0.37) NPY1RDYRK1AHRH3S1PR3RIPK3
SCHEMBL12995191 0.88 NPY1R (0.34) NPY1RDYRK1AHRH3S1PR3LRRK2
SCHEMBL10097338 0.88 TTK (0.37) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL12995202 0.87 NPY1R (0.36) NPY1RDYRK1AHRH3S1PR3RIPK3
SCHEMBL12995203 0.87 NPY1R (0.35) NPY1RDYRK1AHRH3S1PR3LRRK2
SCHEMBL12995162 0.87 NPY1R (0.35) NPY1RDYRK1AHRH3S1PR3LRRK2
SCHEMBL12995445 0.87 AURKA (0.38) HRH3NPC1RAB9A
SCHEMBL12995211 0.87 S1PR3 (0.38) NPY1RHRH3S1PR3NPC1CYP1A2

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 7 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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 NPY1R 4557/4885DYRK1A 4875/4885HRH3 3336/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPY1R 4557/4885DYRK1A 4875/4885HRH3 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.