SCHEMBL432973

SCHEMBL432973

O=C1CCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTT P42858 1/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL4430571 0.91 MAPT (0.48) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL5113275 0.90 ALOX5 (0.59) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL8098411 0.89 ALOX5 (0.55) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL9819261 0.85 DRD2 (0.54) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL18367701 0.83 ALDH1A1 (0.45) ALOX5ALDH1A1MAPTKDM4EMEN1
SCHEMBL15766789 0.81 DDB1 (0.64) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL8099439 0.80 MEN1 (0.47) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL5740890 0.80 PIK3CD (0.51) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL15947824 0.79 DRD2 (0.48) ALOX5ALDH1A1MAPTKDM4EPTGS1
SCHEMBL1261488 0.79 HSD11B1 (0.47) ALDH1A1MEN1KMT2ACYP11B1CYP11B2

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 ALOX5 936/4885ALDH1A1 1142/4885MAPT 2392/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALOX5 1132/4885ALDH1A1 1242/4885MAPT 2573/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALOX5 936/4885ALDH1A1 1142/4885MAPT 2392/4885

“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.