SCHEMBL4347771

SCHEMBL4347771

CCOc1ccc2c(c1)C(N)CC1(CCCCC1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 9/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
EDNRA P25101 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL4355348 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDHRH3MEN1
SCHEMBL11246000 0.86 HTR2B (0.40) KDM4EMEN1KMT2AGAAHTR1A
SCHEMBL11481692 0.84 KDM4E (0.43) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL618191 0.82 HTR2B (0.40) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4350339 0.77 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL620648 0.76 HRH3 (0.40) HPGDHRH3CYP2D6
SCHEMBL3801092 0.76 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4352829 0.75 MAPT (0.44) KDM4EALDH1A1HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL6559908 0.75 TRPV1 (0.39)
SCHEMBL3794790 0.74 KDM1A (0.37) KDM4EALDH1A1MEN1KMT2ALMNA

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-8598220-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-12-03 US disclosed
US-7622493-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
US-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
EP-2012778-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2009-01-14 EP disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 US disclosed
WO-2007121299-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-25 WO 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 (2 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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 KDM4E 3574/4885ALDH1A1 579/4885HPGD 1161/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B KDM4E 3498/4885ALDH1A1 556/4885HPGD 1152/4885

“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.