SCHEMBL10246508

SCHEMBL10246508

CO/N=C1\COc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
OXTR P30559 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL15045824 1.00 MAOA (0.41) MAOAMAOBOXTRALDH1A1KDM4E
SCHEMBL429628 0.79 DRD2 (0.47) MAOBALDH1A1KDM4EGAANPC1
SCHEMBL7337805 0.78 CYP1A2 (0.39) MAOAMAOBALDH1A1KDM4EMAPT
SCHEMBL2492980 0.73 ALOX12 (0.32) ALOX12
SCHEMBL6653939 0.69 MIF (0.40) MAOBALDH1A1KDM4EGAANPC1
SCHEMBL18924655 0.69 MIF (0.40) MAOBALDH1A1KDM4EGAANPC1
SCHEMBL6656648 0.69 MIF (0.40) MAOBALDH1A1KDM4EGAANPC1
SCHEMBL489968 0.68 MAOA (0.61) MAOAMAOBOXTRALDH1A1NPC1
SCHEMBL11372112 0.67 MAOA (0.48) MAOAMAOBALDH1A1KDM4EGAA
SCHEMBL346944 0.66

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 5 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
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 MAOA 1238/4885MAOB 1247/4885OXTR 210/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAOA 1407/4885MAOB 1401/4885OXTR 225/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MAOA 1238/4885MAOB 1247/4885OXTR 210/4885

“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.