SCHEMBL426981

SCHEMBL426981

O=C1CCN(Cc2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MDM2 Q00987 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ALDH3A1 P30838 2/20 0.46
ALDH2 P05091 1/20 0.46
CHRM1 P11229 1/20 0.46
CES1 P23141 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
DHPS P49366 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL20622393 0.90 L3MBTL1 (0.58) KMT2AMDM2CTDSP1L3MBTL1DDB1
SCHEMBL22719691 0.84 CHRM5 (0.54) L3MBTL1ALDH1A1NPSR1
SCHEMBL29505057 0.84 CHRM5 (0.54) L3MBTL1ALDH1A1NPSR1
SCHEMBL27891682 0.83 EPHX2 (0.55) KMT2AMDM2CTDSP1L3MBTL1DDB1
SCHEMBL26917652 0.79 ATM (0.62) KMT2AMDM2CTDSP1L3MBTL1DDB1
SCHEMBL4692742 0.79 ATM (0.59) KMT2AMDM2CTDSP1L3MBTL1DDB1
SCHEMBL8248998 0.79 DDB1 (0.59) KMT2AMDM2CTDSP1L3MBTL1DDB1
SCHEMBL16294059 0.79 LMNA (0.49) KMT2AL3MBTL1ALDH1A1CHRM1TDP1
SCHEMBL20620191 0.78 ALDH1A1 (0.46) KMT2AL3MBTL1DDB1CRBNBRD4
SCHEMBL5474552 0.78 PARP1 (0.49) KMT2AL3MBTL1DDB1CRBNBRD4

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 9 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
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
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 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 KMT2A 4540/4885MDM2 4188/4885CTDSP1 4573/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KMT2A 4629/4885MDM2 4042/4885CTDSP1 4612/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KMT2A 4540/4885MDM2 4188/4885CTDSP1 4573/4885

“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.