SCHEMBL433712

SCHEMBL433712

CC(C)(C)[Si](C)(C)OC1CCc2cccc(NC(=O)NC3Cc4ccccc4N(Cc4ccccc4)C3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
TEAD1 P28347 1/20 0.41
TRPV1 Q8NER1 11/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPY1R P25929 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL430082 0.91 TEAD1 (0.45) MTNR1AMTNR1BTEAD1TRPV1MEN1
SCHEMBL430194 0.87 TRPV1 (0.42) TRPV1KDM4ECCKBR
SCHEMBL431446 0.85 TRPV1 (0.56) TEAD1TRPV1NPY1RCCKBR
SCHEMBL430355 0.83 TRPV1 (0.58) MTNR1AMTNR1BTEAD1TRPV1MEN1
SCHEMBL429663 0.81 MTNR1A (0.56) MTNR1AMTNR1BTRPV1NPY1RCCKBR
SCHEMBL431333 0.80 TRPV1 (0.49) TEAD1TRPV1
SCHEMBL427922 0.79 LMNA (0.50) TRPV1
SCHEMBL433713 0.79 TRPV1 (0.42) TRPV1
SCHEMBL430316 0.77 TRPV1 (0.53) TRPV1KMT2ACCKBR
SCHEMBL433270 0.76 MTNR1A (0.52) MTNR1AMTNR1BTRPV1CCKBR

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MTNR1A 59/4885MTNR1B 98/4885TEAD1 1626/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885MTNR1B 92/4885TEAD1 1819/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MTNR1B 98/4885TEAD1 1626/4885

“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.