SCHEMBL1611059

SCHEMBL1611059

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(NCC2CC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
CRHR2 Q13324 1/20 0.35
GRM2 Q14416 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MEP1B Q16820 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER4 P35408 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SCN9A Q15858 1/20 0.33
GPR6 P46095 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL1610468 0.92 CRHR1 (0.39) CRHR1TRPM8CRHR2LRRK2MEP1B
SCHEMBL2684434 0.91 CRHR1 (0.39) CRHR1TRPM8CRHR2GRM2LRRK2
SCHEMBL11902701 0.86 CRHR1 (0.36) CRHR1TRPM8CRHR2GRM2LRRK2
SCHEMBL1656975 0.83 MEN1 (0.37) MEP1BMEN1KMT2ATAS1R3TAS1R1
SCHEMBL2682535 0.83 GRM2 (0.41) CRHR1TRPM8GRM2GPR6
SCHEMBL2684152 0.83 TAS1R3 (0.36) TRPM8LRRK2MEP1BMEN1KMT2A
SCHEMBL1654721 0.82 CYP1A2 (0.43) CRHR2MEN1KMT2A
SCHEMBL11903155 0.81 CRHR1 (0.40) CRHR1GRM2LRRK2
SCHEMBL1610214 0.81 MAPK1 (0.35) MEP1BKMT2A
SCHEMBL2682965 0.81 SMN1; SMN2 (0.40) MEP1BMEN1KMT2ATAS1R3TAS1R1

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 CRHR1 4245/4885TRPM8 2999/4885CRHR2 4320/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO CRHR1 3813/4885TRPM8 3919/4885CRHR2 3453/4885

“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.