SCHEMBL1609696

SCHEMBL1609696

COC(=O)c1nc(C2CC2)nc(NCC(C)c2ccc(Cl)cc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
SLC6A3 Q01959 1/20 0.37
PDE10A Q9Y233 7/20 0.36
P2RX7 Q99572 1/20 0.35
IDO1 P14902 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PSD A5PKW4 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 2/20 0.34

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
SCHEMBL1609438 0.92 PDE10A (0.42) PDE10APDE4BPDE4DALDH1A1CYP3A4
SCHEMBL1609803 0.84 PDE10A (0.50) SLC6A3PDE10AIDO1ALDH1A1MAPK1
SCHEMBL1610314 0.84 PDE10A (0.44) SLC6A3PDE10AP2RX7PDE4BPDE4D
SCHEMBL1609147 0.83 PDE10A (0.50) SLC6A3PDE10APDE4BPDE4DALDH1A1
SCHEMBL1609853 0.82 ALDH1A1 (0.36) PDE10AALDH1A1CYP2C9SMN1; SMN2KDM4E
SCHEMBL1613172 0.82 PDE10A (0.47) PDE10APDE4BPDE4DALDH1A1CYP3A4
SCHEMBL1610223 0.82 NPY1R (0.41) ALDH1A1CYP1A2TSHRMAPK1SMN1; SMN2
SCHEMBL1610436 0.81 PDE10A (0.42) PDE10APDE4BPDE4DALDH1A1TSHR
SCHEMBL1610256 0.81 PDE10A (0.34) SLC6A3PDE10AALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1610749 0.80 SLC6A3 (0.38) SLC6A3PDE10AIDO1PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 P2RX3 566/4885SLC6A3 2437/4885PDE10A 1704/4885

“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.