SCHEMBL14908418

SCHEMBL14908418

C#CCN(C(=O)OC(C)(C)C)n1cc(-c2cccnc2)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
GBA1 P04062 1/20 0.35
DUSP10 Q9Y6W6 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CYP2A6 P11509 4/20 0.33
CYP3A4 P08684 2/20 0.33
DCTPP1 Q9H773 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TSHR P16473 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 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
SCHEMBL17339913 0.88 CYP2A6 (0.41) HTTPDE10AGPR119GBA1DUSP10
SCHEMBL14895765 0.85 KMT2A (0.38) HTTPDE10ACYP2A6CYP3A4TLR8
SCHEMBL15589773 0.83 GPR119 (0.40) PDE10AGPR119GBA1CPB2KDM4E
SCHEMBL2688420 0.83 GPR119 (0.39) HTTPDE10AGPR119GBA1DUSP10
SCHEMBL14908442 0.79 CYP2A6 (0.35) PDE10ACYP2A6CYP3A4DCTPP1TLR8
SCHEMBL16107648 0.78 CYP3A4 (0.34) HTTPDE10ACYP2A6CYP3A4DCTPP1
SCHEMBL6026934 0.76 CYP2C19 (0.40) HTTPDE10AGPR119GBA1DUSP10
SCHEMBL16950252 0.76 DUSP10 (0.35) HTTPDE10ADUSP10CYP2A6CYP3A4
SCHEMBL6125041 0.76 CYP2A6 (0.43) PDE10ADUSP10CYP2A6CYP3A4DCTPP1
SCHEMBL2689848 0.74 CYP2A6 (0.46) HTTPDE10ACYP2A6CYP3A4DCTPP1

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-2901858-A1 Pesticidal compositions and processes related thereto Dow AgroSciences LLC (US) 2015-08-05 EP disclosed
EP-2901858-A1 Pesticidal compositions and processes related thereto Dow AgroSciences LLC (US) 2015-08-05 EP disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
US-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 US disclosed
WO-2013062980-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 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 (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-20140296068-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT HTT 4543/4885PDE10A 100/4885GPR119 1083/4885

“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.