SCHEMBL4405599

SCHEMBL4405599

O=C(Nc1cc(Cl)c(Cl)nc1C1CCN(Cc2ccc(-c3ncc(F)cn3)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
HTR2C P28335 5/20 0.44
CSNK1D P48730 3/20 0.40
CSNK1E P49674 3/20 0.40
ACHE P22303 3/20 0.40
GSK3B P49841 3/20 0.40
BCHE P06276 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
HDAC1 Q13547 1/20 0.38
SSTR5 P35346 1/20 0.38
F10 P00742 2/20 0.38
MAPK1 P28482 1/20 0.38
TBK1 Q9UHD2 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
SCHEMBL2682590 0.94 F10 (0.42) MCHR1HTR2CHDAC1F10TBK1
SCHEMBL1726317 0.93 MCHR1 (0.48) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL4402603 0.88 GPR6 (0.43) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL2681822 0.87 MCHR1 (0.41) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL1726321 0.86 MCHR1 (0.48) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL1726855 0.86 MCHR1 (0.46) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL1083522 0.85 F10 (0.45) MCHR1HTR2CHDAC1F10
SCHEMBL1725597 0.85 MCHR1 (0.45) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL1727255 0.85 MCHR1 (0.47) MCHR1HTR2CCSNK1DCSNK1EACHE
SCHEMBL4403433 0.84 ACHE (0.42) MCHR1HTR2CCSNK1DCSNK1EACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451801-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-13 EP disclosed
US-8586593-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-11-19 US disclosed
US-20120115884-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115884-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
WO-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 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-20120115884-A1 INSECTICIDAL COMPOUNDS ACHE, C1R, C5 MCHR1 176/4885HTR2C 4233/4885CSNK1D 3705/4885

“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.