SCHEMBL12995202

SCHEMBL12995202

Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.36
HRH3 Q9Y5N1 6/20 0.34
S1PR3 Q99500 2/20 0.33
BRD4 O60885 1/20 0.33
P2RX3 P56373 2/20 0.32
IDH1 O75874 2/20 0.32
DYRK1A Q13627 2/20 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
RIPK3 Q9Y572 1/20 0.32
GSK3B P49841 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
SCHEMBL12995319 0.96 NPY1R (0.33) NPY1RHRH3S1PR3BRD4P2RX3
SCHEMBL12995171 0.90 NPY1R (0.35) NPY1RHRH3S1PR3BRD4P2RX3
SCHEMBL12995106 0.89 P2RX3 (0.37) NPY1RHRH3S1PR3BRD4P2RX3
SCHEMBL10096095 0.89 MAPT (0.36) BRD4NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12995201 0.88 GSK3B (0.42) NPY1RHRH3P2RX3DYRK1ANPC1
SCHEMBL12995191 0.88 NPY1R (0.34) NPY1RHRH3S1PR3DYRK1ANPC1
SCHEMBL12995474 0.88 EPHX2 (0.39) HRH3NPC1RAB9A
SCHEMBL12995109 0.88 HRH3 (0.35) NPY1RHRH3S1PR3DYRK1ANPC1
SCHEMBL12995087 0.88 HRH3 (0.39) NPY1RHRH3S1PR3DYRK1ANPC1
SCHEMBL12995163 0.87 NPY1R (0.36) NPY1RHRH3S1PR3DYRK1ANPC1

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 4557/4885HRH3 3336/4885S1PR3 1968/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPY1R 4557/4885HRH3 3336/4885S1PR3 1968/4885

“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.