SCHEMBL846115

SCHEMBL846115

COC(=O)CCc1ccc(C(C)(C)CCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
MLYCD O95822 1/20 0.46
PTPN1 P18031 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
FFAR1 O14842 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HDAC1 Q13547 1/20 0.43
ESRRG P62508 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL846142 0.85 FFAR1 (0.62) ALDH1A1FFAR1HDAC1
Methyl 3-Phenylpropanoate SCHEMBL27364391 0.83 TDP1 (0.63) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL168711 0.83 TDP1 (0.68) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27447160 0.81 TDP1 (0.66) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL27315471 0.81 TDP1 (0.66) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL1893702 0.81 TDP1 (0.66) TDP1CA12CA7CA9CA14
SCHEMBL4679670 0.80 CNR1 (0.52) CA12CA7CA9CA14POLB
SCHEMBL2008590 0.80 NR1H4 (0.54) POLBGAACYP2C19ALDH1A1LMNA
Methyl 3-Phenylpropanoate SCHEMBL17748824 0.80 TDP1 (0.63) TDP1CA12CA7CA9CA14
Methyl 3-Phenylpropanoate SCHEMBL9424369 0.78 TDP1 (0.61) TDP1CA12CA7CA9CA14

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 13 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
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
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-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
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
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US 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 TDP1 4042/4885CA12 4673/4885CA7 4026/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TDP1 4042/4885CA12 4673/4885CA7 4026/4885

“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.