SCHEMBL1865876

SCHEMBL1865876

COC(=O)n1ncc2c(NC(=O)NC3CCc4c3cccc4N3CCCOCC3)cccc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.63
CDK8 P49336 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1861072 0.97 TRPV1 (0.66) TRPV1CDK8CLK4
SCHEMBL1855328 0.93 TRPV1 (0.65) TRPV1CDK8CLK4
SCHEMBL1858394 0.92 TRPV1 (0.65) TRPV1CDK8CLK4
SCHEMBL1868859 0.92 TRPV1 (0.65) TRPV1CDK8CLK4
SCHEMBL1857960 0.90 TRPV1 (0.56) TRPV1CDK8CLK4
SCHEMBL1858061 0.88 TRPV1 (0.56) TRPV1CDK8CLK4
SCHEMBL1855893 0.88 TRPV1 (0.56) TRPV1CDK8CLK4
SCHEMBL1858155 0.88 TRPV1 (0.55) TRPV1CDK8CLK4
SCHEMBL1856561 0.87 TRPV1 (0.55) TRPV1CDK8CLK4
SCHEMBL1861295 0.86 TRPV1 (0.54) TRPV1CDK8CLK4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 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 (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-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 TRPV1 2/4885CDK8 3173/4885CLK4 3659/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 TRPV1 2/4885CDK8 3247/4885CLK4 3761/4885

“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.