SCHEMBL431599

SCHEMBL431599

O=C(O)C1Cc2ccccc2N(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
BRD4 O60885 3/20 0.53
MCL1 Q07820 3/20 0.52
BRS3 P32247 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIRT1 Q96EB6 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CACNA1G O43497 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
CHRM1 P11229 1/20 0.45

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
SCHEMBL8566307 0.89 MTNR1A (0.64) MTNR1AMTNR1BBRD4BRS3SMN1; SMN2
SCHEMBL8566298 0.89 MTNR1A (0.64) MTNR1AMTNR1BBRD4BRS3SMN1; SMN2
SCHEMBL8566302 0.89 MTNR1A (0.64) MTNR1AMTNR1BBRD4BRS3SMN1; SMN2
SCHEMBL8562434 0.85 TDP1 (0.57) MTNR1AMTNR1BBRD4BRS3ALDH1A1
SCHEMBL8562438 0.85 TDP1 (0.57) MTNR1AMTNR1BBRD4BRS3ALDH1A1
SCHEMBL8562432 0.85 TDP1 (0.57) MTNR1AMTNR1BBRD4BRS3ALDH1A1
SCHEMBL10148377 0.84 SMN1; SMN2 (0.57) MTNR1AMTNR1BBRD4HTTSMN1; SMN2
SCHEMBL429807 0.83 MTNR1A (0.58) MTNR1AMTNR1BBRD4BRS3ALDH1A1
SCHEMBL429947 0.82 S1PR5 (0.51) MTNR1AMTNR1BBRD4HTTSMN1; SMN2
SCHEMBL1519406 0.81 CASP1 (0.50) MTNR1AMTNR1BMCL1SMN1; SMN2ALDH1A1

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
CN-101563318-A N- (5, 6, 7, 8-tetrahydronaphthalen-1-yl) urea derivatives and related compounds as trpv1 vanilloid receptor antagonists for the treatment of pain ABBOTT LAB (US) 2009-10-21 CN 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 98/4885BRD4 1451/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885MTNR1B 92/4885BRD4 1448/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MTNR1B 98/4885BRD4 1451/4885

“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.