SCHEMBL429595

SCHEMBL429595

CN1CC(NC(=O)O)Cc2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.44
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38
NOTUM Q6P988 2/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
APOB P04114 1/20 0.37
MTTP P55157 1/20 0.37
CNR2 P34972 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SCN9A Q15858 3/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 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
SCHEMBL27782389 0.89 TEAD1 (0.43) TEAD1HTR2AHTR2CHTR2BMEN1
SCHEMBL431819 0.79 TEAD1 (0.61) TEAD1MEN1KMT2ASRPK1
SCHEMBL20790431 0.78 APOB (0.48) APOBMTTP
SCHEMBL430403 0.77 MTNR1A (0.53) TEAD1NOTUM
SCHEMBL4799619 0.77 MTNR1A (0.53) TEAD1NOTUM
SCHEMBL430020 0.75 TRPV1 (0.52) TRPV1
SCHEMBL27760829 0.75 CACNA1B (0.36) TEAD1MEN1KMT2ATRPV1CHRNB2
SCHEMBL431281 0.74 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL25330046 0.73 MTNR1A (0.59) TEAD1NOTUM
SCHEMBL429139 0.72 HDAC8 (0.51) MEN1KMT2AAPOBMTTPTRPV1

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 7 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
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-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO 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 TEAD1 1626/4885HTR2A 197/4885HTR2C 240/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TEAD1 1819/4885HTR2A 200/4885HTR2C 190/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TEAD1 1626/4885HTR2A 197/4885HTR2C 240/4885

“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.