SCHEMBL12995182

SCHEMBL12995182

CC(C)OC(=O)Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
GPR119 Q8TDV5 2/20 0.34
DYRK1A Q13627 3/20 0.34
WNT1 P04628 2/20 0.34
GSK3B P49841 2/20 0.34
AAK1 Q2M2I8 2/20 0.33
S1PR3 Q99500 2/20 0.33
ABL1 P00519 2/20 0.33
NPY1R P25929 1/20 0.33
JAK3 P52333 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
ATR Q13535 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

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
SCHEMBL12995310 0.96 HRH3 (0.33) HRH3GPR119DYRK1AWNT1GSK3B
SCHEMBL10096096 0.88 AAK1 (0.36) GPR119AAK1NPC1CYP1A2CYP2D6
SCHEMBL12995111 0.88 S1PR3 (0.35) HRH3DYRK1AS1PR3ABL1NPY1R
SCHEMBL12995452 0.87 AURKA (0.37) HRH3JAK3NPC1RAB9A
SCHEMBL12995208 0.86 RIPK3 (0.39) HRH3DYRK1AS1PR3NPY1RNPC1
SCHEMBL12995211 0.86 S1PR3 (0.38) HRH3S1PR3NPY1RNPC1CYP1A2
SCHEMBL12995191 0.86 NPY1R (0.34) HRH3DYRK1AS1PR3ABL1NPY1R
SCHEMBL12995171 0.86 NPY1R (0.35) HRH3DYRK1AS1PR3NPY1RNPC1
SCHEMBL12995109 0.86 HRH3 (0.35) HRH3DYRK1AS1PR3ABL1NPY1R
SCHEMBL12995202 0.85 NPY1R (0.36) HRH3DYRK1AGSK3BS1PR3NPY1R

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 HRH3 3336/4885GPR119 1396/4885DYRK1A 4875/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885GPR119 1396/4885DYRK1A 4875/4885

“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.