SCHEMBL810113

SCHEMBL810113

Cc1nc(Nc2ccc(C(C)(C)C(=O)O)cc2)c2ccc(-c3ncccc3C)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.44
EPHX2 P34913 1/20 0.39
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4976316 0.92 TRPV1 (0.44) TRPV1EPHX2PIK3CAMTORNPC1
SCHEMBL4984558 0.87 TRPV1 (0.41) TRPV1EPHX2PIK3CAMTOR
SCHEMBL4973730 0.84 TRPV1 (0.46) TRPV1EPHX2ABCG2
SCHEMBL4972756 0.84 TRPV1 (0.46) TRPV1EPHX2ABCG2
SCHEMBL5113494 0.83 TRPV1 (0.46) TRPV1EPHX2ABCG2MEN1NPC1
SCHEMBL4973145 0.81 TRPV1 (0.59) TRPV1
SCHEMBL4973745 0.80 TRPV1 (0.42) TRPV1EPHX2ABCG2
SCHEMBL4919143 0.80 TRPV1 (0.47) TRPV1EPHX2
SCHEMBL5108417 0.80 TRPV1 (0.55) TRPV1EPHX2ABCG2
SCHEMBL4973541 0.79 TRPV1 (0.40) TRPV1EPHX2PIK3CAMTOR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 US disclosed
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 US disclosed
US-7432275-B2 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION (US) 2008-10-07 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
US-20060089354-A1 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators NEUROGEN CORPORATION 2006-04-27 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 (6 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885EPHX2 3223/4885PIK3CA 2769/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885EPHX2 3223/4885PIK3CA 2769/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885EPHX2 3223/4885PIK3CA 2769/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885EPHX2 3223/4885PIK3CA 2769/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TRPV1 3812/4885EPHX2 3223/4885PIK3CA 2769/4885
US-20060089354-A1 Carboxylic acid, phosphate or phosphonate substituted quinazolin-4-ylamine analogues as capsaicin receptor modulators P2RX3, P2RY1, HCAR3 TRPV1 5/4885EPHX2 3933/4885PIK3CA 74/4885

“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.