SCHEMBL428179

SCHEMBL428179

CC(C)(C)[Si](C)(C)OC1CCc2cccc(N)c2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
CHRM3 P20309 5/20 0.35
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
ADRA2A P08913 1/20 0.33
DRD4 P21917 1/20 0.33
CD44 P16070 2/20 0.32
SLC18A3 Q16572 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
SCHEMBL472631 0.82 BACE1 (0.36) TRPV1CHRM3CHRM2CHRM1DRD2
SCHEMBL472499 0.82 BACE1 (0.36) TRPV1CHRM3CHRM2CHRM1DRD2
SCHEMBL3806985 0.80 PLAU (0.41)
SCHEMBL1964033 0.78 TRPV1 (0.39) TRPV1
SCHEMBL14433304 0.78 CHRM2 (0.44) TRPV1CHRM3CHRM2CHRM1DRD2
SCHEMBL1964461 0.78 TRPV1 (0.33) TRPV1
SCHEMBL29113480 0.74 CYP1A2 (0.37) DRD2DRD3
SCHEMBL30612410 0.74 CYP1A2 (0.37) DRD2DRD3
SCHEMBL7586414 0.70 DRD2 (0.40) DRD2DRD3
SCHEMBL2877475 0.70 OPRL1 (0.41) DRD2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2011-06-16 US disclosed
US-7902236-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF ABBOTT LABORATORIES (US) 2010-01-14 US disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
US-7504520-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof ABBVIE INC. 2006-12-14 US disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 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 (8 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885CHRM3 114/4885CHRM2 133/4885
US-20060281799-A1 Antagonists of the vanilloid receptor subtype 1 (VR1) and use thereof TRPV1, TMEM109, CACNA1E TRPV1 1/4885CHRM3 254/4885CHRM2 225/4885
US-20110144057-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E TRPV1 1/4885CHRM3 254/4885CHRM2 225/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885CHRM3 97/4885CHRM2 96/4885
US-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 TRPV1 1/4885CHRM3 273/4885CHRM2 200/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885CHRM3 114/4885CHRM2 133/4885
US-20100010055-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USE THEREOF TRPV1, TMEM109, CACNA1E TRPV1 1/4885CHRM3 254/4885CHRM2 225/4885
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 TRPV1 1/4885CHRM3 868/4885CHRM2 1447/4885

“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.