SCHEMBL847388

SCHEMBL847388

CCOC(=O)C=Cc1ccc(C(C)(C)CC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
CYP3A4 P08684 1/20 0.57
TTR P02766 1/20 0.56
DPP4 P27487 1/20 0.56
MAOB P27338 2/20 0.51
FDPS P14324 1/20 0.49
ESR1 P03372 2/20 0.48
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL847387 1.00 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL4890740 0.88 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL4890745 0.88 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.85 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.85 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.85 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL10974657 0.84 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL3143890 0.84 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL1260527 0.84 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL1689725 0.83 CA12 (0.67) CA12CA1CA2CA7CA9

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-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 CA12 4673/4885CA1 3260/4885CA2 1974/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CA12 4673/4885CA1 3260/4885CA2 1974/4885

“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.