SCHEMBL4403433

SCHEMBL4403433

Cc1ccc(NC(=O)c2ccnc(Cl)c2)c(C2CCN(Cc3ccc(-c4ncc(F)cn4)cc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
GSK3B P49841 3/20 0.42
MCHR1 Q99705 7/20 0.41
HTR2C P28335 4/20 0.41
BCHE P06276 1/20 0.40
HDAC1 Q13547 1/20 0.40
SSTR5 P35346 2/20 0.40
ACKR3 P25106 1/20 0.40
F10 P00742 3/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL4401608 0.94 F10 (0.44) GSK3BMCHR1HTR2CHDAC1ACKR3
SCHEMBL2680721 0.89 HIF1A (0.42) ACHEGSK3BMCHR1HTR2CBCHE
SCHEMBL2681756 0.89 F10 (0.44) ACHEGSK3BMCHR1HTR2CBCHE
SCHEMBL4402603 0.87 GPR6 (0.43) ACHEGSK3BMCHR1HTR2CBCHE
SCHEMBL12535742 0.85 MCHR1 (0.44) GSK3BMCHR1HDAC1ACKR3F10
SCHEMBL4405599 0.84 MCHR1 (0.44) ACHEGSK3BMCHR1HTR2CBCHE
SCHEMBL2681885 0.83 F10 (0.44) F10
Hydrochloric Acid SCHEMBL2681741 0.83 F10 (0.43) F10
Acetic Acid SCHEMBL2680690 0.82 F10 (0.42) MCHR1HDAC1SSTR5F10
SCHEMBL2681822 0.82 MCHR1 (0.41) ACHEGSK3BMCHR1HTR2CBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACHE 1/4885GSK3B 3390/4885MCHR1 176/4885

“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.