SCHEMBL14799327

SCHEMBL14799327

COC(=O)C1(CCC(C)(C)C)CCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 3/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 3/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7626939 0.83 CYP2C19 (0.36) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL8468255 0.80 CYP2C19 (0.34) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL1417675 0.79 CYP4F2 (0.37) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL4811675 0.79 MAPT (0.41) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL29168788 0.79 SIRT2 (0.40) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL31369191 0.79 CYP4F2 (0.36) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL4349604 0.78 CYP2C19 (0.34) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL29328600 0.78 CYP4F2 (0.38) CYP2C19CYP4F2CYP4A11CYP3A4TSHR
SCHEMBL28553004 0.78 SIRT2 (0.43) CYP2C19CYP4F2CYP4A11CYP3A4
SCHEMBL2648433 0.78 CYP2C19 (0.36) CYP2C19CYP4F2CYP4A11CYP3A4TSHR

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
CN-102918028-B N-[(mixing) arylalkyl] pyrazoles (sulfo-) carboxylic acid amides and the assorted analogue replaced thereof BAYER CROPSCIENCE AG (DE) 2016-04-27 CN disclosed
US-8999956-B2 N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
EP-2576517-B1 N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER IP GMBH (DE) 2014-12-17 EP disclosed
EP-2576517-A1 N-[(HET)ARYLALKYL)]PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES Bayer Cropscience AG (DE) 2013-04-10 EP disclosed
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
CN-102918028-A N-[(het)arylalkyl)] pyrazole (thio)carboxamides and their heterosubstituted analogues BAYER CROPSCIENCE AG 2013-02-06 CN disclosed
WO-2011151370-A1 N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 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 (1 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-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 CYP2C19 39/4885CYP4F2 76/4885CYP4A11 105/4885

“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.