SCHEMBL10246513

SCHEMBL10246513

ClC#CCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
KCNA3 P22001 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.40
LTA4H P09960 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL9808291 0.85 KCNH2 (0.57) KCNH2KCNA3CA12CA1CA2
SCHEMBL1790840 0.81 KCNH2 (0.53) KCNH2KCNA3CA12CA1CA2
SCHEMBL7501197 0.80 KCNH2 (0.49) KCNH2KCNA3CA12CA1CA2
Diphenylether SCHEMBL10632533 0.79 LTA4H (0.57) KCNH2KCNA3CA12CA1CA2
SCHEMBL12389056 0.78 GRM5 (0.50) KCNH2ALDH1A1DRD2DRD4DRD3
SCHEMBL9338770 0.77 KCNH2 (0.55) KCNH2KCNA3CA12CA1CA2
SCHEMBL10571938 0.77 KCNH2 (0.50) KCNH2KCNA3CA12CA1CA2
SCHEMBL1618118 0.77 KCNH2 (0.50) KCNH2KCNA3CA12CA1CA2
SCHEMBL3683548 0.77 KCNH2 (0.50) KCNH2KCNA3CA12CA1CA2
SCHEMBL11483215 0.77 KCNH2 (0.50) KCNH2KCNA3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US 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
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 US disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 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 (7 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 KCNH2 382/4885KCNA3 215/4885CA12 4245/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 KCNH2 460/4885KCNA3 329/4885CA12 2577/4885
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 KCNH2 604/4885KCNA3 303/4885CA12 3678/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KCNH2 368/4885KCNA3 257/4885CA12 3902/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 KCNH2 383/4885KCNA3 261/4885CA12 2956/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KCNH2 382/4885KCNA3 215/4885CA12 4245/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 KCNH2 604/4885KCNA3 303/4885CA12 3678/4885

“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.