SCHEMBL431689

SCHEMBL431689

CON=C1CCN(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR7 P34969 3/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SETD7 Q8WTS6 2/20 0.33
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
HTR1A P08908 1/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 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
Methoxyamine SCHEMBL4553695 0.94 MAPT (0.39) MAPTKDM4EHTR7DRD2DRD3
SCHEMBL10246459 0.82 KDM4E (0.41) MAPTKDM4EHTR7HTR1A
SCHEMBL13703733 0.80 MAPT (0.40) MAPTALDH1A1HPGD
SCHEMBL5150970 0.79 HPGD (0.44) MAPTKDM4ESETD7ALDH1A1GAA
SCHEMBL5150973 0.79 HPGD (0.44) MAPTKDM4ESETD7ALDH1A1GAA
SCHEMBL21214585 0.78 TUBB4A (0.34) MAPTKDM4EALDH1A1
SCHEMBL13703678 0.77 MAPT (0.54) MAPTALDH1A1GAAHPGD
SCHEMBL432977 0.74 KDM4E (0.35) MAPTKDM4EALDH1A1GAA
Methoxyamine SCHEMBL4553901 0.72 BRD4 (0.39) MAPTKDM4EALDH1A1GAA
Methoxyamine SCHEMBL4553683 0.70 KDM4E (0.33) MAPTKDM4EALDH1A1

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 MAPT 2392/4885KDM4E 4626/4885HTR7 230/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAPT 2573/4885KDM4E 4625/4885HTR7 210/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAPT 2392/4885KDM4E 4626/4885HTR7 230/4885

“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.