SCHEMBL12995196

SCHEMBL12995196

CC(C)OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)cs3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
NPY1R P25929 1/20 0.34
P2RX3 P56373 4/20 0.33
P2RX2 Q9UBL9 4/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
S1PR3 Q99500 2/20 0.32
RIPK3 Q9Y572 1/20 0.32
BRD4 O60885 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ABL1 P00519 1/20 0.32
FAAH O00519 1/20 0.32
EPHX2 P34913 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
SCHEMBL12995315 0.96 HRH3 (0.34) HRH3P2RX3P2RX2RAF1BRAF
SCHEMBL12995175 0.91 GRM5 (0.38) HRH3NPY1RP2RX3P2RX2S1PR3
SCHEMBL12995470 0.89 EPHX2 (0.39) HRH3FAAHEPHX2
SCHEMBL12995181 0.89 TP53 (0.38) FABP4FABP5
SCHEMBL12995172 0.88 HRH3 (0.34) HRH3NPY1RRAF1BRAFS1PR3
SCHEMBL12995314 0.87 GRM5 (0.38) HRH3NPY1RP2RX3P2RX2S1PR3
SCHEMBL12995204 0.86 HRH3 (0.36) HRH3RAF1BRAFS1PR3ABL1
SCHEMBL12995179 0.85 NPY1R (0.39) HRH3NPY1RP2RX3P2RX2S1PR3
SCHEMBL12995201 0.85 GSK3B (0.42) HRH3NPY1RP2RX3RIPK3ABL1
SCHEMBL12995045 0.85 HRH3 (0.38) HRH3S1PR3ABL1FAAHEPHX2

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 3336/4885NPY1R 4557/4885P2RX3 1676/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885NPY1R 4557/4885P2RX3 1676/4885

“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.