SCHEMBL429807

SCHEMBL429807

CCOC(=O)C1Cc2ccccc2N(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.51
BRD4 O60885 2/20 0.50
LMNA P02545 1/20 0.49
BRS3 P32247 1/20 0.48
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8562438 0.90 TDP1 (0.57) MTNR1AMTNR1BALDH1A1TSHRMAPK1
SCHEMBL8562434 0.90 TDP1 (0.57) MTNR1AMTNR1BALDH1A1TSHRMAPK1
SCHEMBL8562432 0.90 TDP1 (0.57) MTNR1AMTNR1BALDH1A1TSHRMAPK1
SCHEMBL10148376 0.89 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1TSHRMAPK1
SCHEMBL431767 0.84 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1TSHRMAPK1
SCHEMBL654145 0.84 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1TSHRMAPK1
SCHEMBL8566307 0.83 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1BRD4LMNA
SCHEMBL8566298 0.83 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1BRD4LMNA
SCHEMBL8566302 0.83 MTNR1A (0.64) MTNR1AMTNR1BALDH1A1BRD4LMNA
SCHEMBL431599 0.83 MTNR1A (0.60) MTNR1AMTNR1BALDH1A1BRD4BRS3

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 8 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

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 MTNR1A 59/4885MTNR1B 98/4885ALDH1A1 1142/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885MTNR1B 92/4885ALDH1A1 1242/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MTNR1B 98/4885ALDH1A1 1142/4885

“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.