SCHEMBL286970

SCHEMBL286970

CCOC(=O)C(Cl)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SHBG P04278 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL31547048 0.98 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL22495519 0.90 L3MBTL1 (0.44) ALDH1A1NPSR1TSHRL3MBTL1CYP2D6
SCHEMBL4087213 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL28901109 0.80 L3MBTL1 (0.38) ALDH1A1NPSR1TSHRL3MBTL1CYP2D6
SCHEMBL660922 0.80 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1433202 0.80 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1785494 0.80 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL31409193 0.80 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL28593465 0.80 SLC6A3 (0.46) ALDH1A1NPSR1TSHRTHRBATM
SCHEMBL18022794 0.80 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
CN-106243037-A The substituted phenylurea of part and phenyl amide as Rhizoma et radix valerianae compounds receptor 格吕伦塔尔有限公司 2016-12-21 CN disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
EP-2150531-A2 NOVEL VANILLOID RECEPTOR LIGANDS, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 US disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 US disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 US disclosed
WO-2008125295-A2 NOVEL VANILLOID RECEPTOR LIGANDS, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 WO disclosed
WO-2008125295-A2 NOVEL VANILLOID RECEPTOR LIGANDS, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 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 (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-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions TRPV1, TRPV2, TRPV3 ALDH1A1 1531/4885NPSR1 40/4885TSHR 1804/4885
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 ALDH1A1 2236/4885NPSR1 117/4885TSHR 662/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 ALDH1A1 2943/4885NPSR1 145/4885TSHR 611/4885

“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.