SCHEMBL3282799

SCHEMBL3282799

CCCC[Sn](CCCC)(CCCC)c1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CXCR4 P61073 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
TLR8 Q9NR97 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7652331 0.79 GSR (0.32) KDM4ENPSR1L3MBTL1
SCHEMBL7642619 0.79 GSR (0.32) KDM4ENPSR1L3MBTL1
SCHEMBL29550956 0.72 P2RX7 (0.36) PTGS2PTGS1ALPLALPITLR8
SCHEMBL22775379 0.72 P2RX7 (0.36) PTGS2PTGS1ALPLALPITLR8
SCHEMBL23162752 0.71 PTGS2 (0.34) PTGS2PTGS1KDM4EALPLALPI
SCHEMBL40330 0.69 TRPV4 (0.42) PTGS2PTGS1
SCHEMBL12266190 0.68 TRPV1 (0.40) PTGS2PTGS1NPSR1L3MBTL1
SCHEMBL4753484 0.68 KDM4E (0.35) KDM4ETLR8NPSR1L3MBTL1
SCHEMBL16739860 0.67 HRH3 (0.31)
SCHEMBL8878264 0.66 TDP1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
EP-1877400-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen, Inc (US) 2008-01-16 EP disclosed
US-7301022-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2007-11-27 US disclosed
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 US disclosed
EP-1789413-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2007-05-30 EP 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
WO-2006113769-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-10-26 WO disclosed
US-20060235036-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-10-19 US disclosed
WO-2006089311-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-08-24 WO disclosed
US-20060183745-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-08-17 US disclosed
WO-2006031852-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-03-23 WO disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 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 (5 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-20060235036-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PTGS2 175/4885PTGS1 168/4885KDM4E 4218/4885
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PTGS2 183/4885PTGS1 150/4885KDM4E 3505/4885
US-20060183745-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PTGS2 175/4885PTGS1 168/4885KDM4E 4218/4885
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PTGS2 183/4885PTGS1 150/4885KDM4E 3505/4885
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 PTGS2 16/4885PTGS1 18/4885KDM4E 2167/4885

“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.