SCHEMBL431767

SCHEMBL431767

CCOC(=O)C1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
TEAD1 P28347 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.43
S1PR1 P21453 2/20 0.42
S1PR5 Q9H228 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL654145 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1TSHRHPGD
SCHEMBL429947 0.87 S1PR5 (0.51) ALDH1A1SMN1; SMN2TEAD1S1PR1S1PR5
SCHEMBL429807 0.84 MTNR1A (0.58) ALDH1A1MAPK1TSHRHPGDLMNA
SCHEMBL10148376 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1TSHRHPGD
SCHEMBL651279 0.80 S1PR5 (0.50) ALDH1A1SMN1; SMN2TEAD1S1PR1S1PR5
SCHEMBL431819 0.79 TEAD1 (0.61) ALDH1A1TEAD1S1PR1S1PR5MTNR1A
SCHEMBL22719686 0.77 TEAD1 (0.63) ALDH1A1SMN1; SMN2TEAD1MTNR1AMTNR1B
SCHEMBL29505002 0.77 TEAD1 (0.63) ALDH1A1SMN1; SMN2TEAD1MTNR1AMTNR1B
SCHEMBL430344 0.76 SIRT2 (0.44) TEAD1LMNAS1PR1S1PR5MTNR1A
SCHEMBL25329940 0.75 HPGD (0.44) ALDH1A1SMN1; SMN2TSHRHPGDKDM4E

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 ALDH1A1 1142/4885SMN1; SMN2 4006/4885MAPK1 1479/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALDH1A1 1242/4885SMN1; SMN2 3786/4885MAPK1 1403/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALDH1A1 1142/4885SMN1; SMN2 4006/4885MAPK1 1479/4885

“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.