SCHEMBL1608906

SCHEMBL1608906

CCCN(c1ccccc1)c1nc(C2CC2)nc(C(=O)OC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE10A Q9Y233 1/20 0.35
THRB P10828 1/20 0.35
RXRA P19793 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DHFR P00374 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
NTSR1 P30989 1/20 0.33
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 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
SCHEMBL1609829 0.88 TSHR (0.41) TSHRMAPK1PDE10ATHRBL3MBTL1
SCHEMBL1610619 0.85 PDE4B (0.37) TSHRMAPK1PDE10ASLC6A3ALDH1A1
SCHEMBL12713234 0.84 PDE4A (0.39) TSHRMAPK1PDE10AL3MBTL1SMN1; SMN2
SCHEMBL1610616 0.83 PDE4B (0.39) TSHRMAPK1PDE10ASLC6A3CHRM3
SCHEMBL12712923 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MTNR1AMTNR1BCHRM3CHRM2
SCHEMBL1609945 0.80 PDE4A (0.38) CRHR1TSHRMAPK1PDE10AL3MBTL1
SCHEMBL1609980 0.80 CHRM3 (0.43) TSHRMAPK1PDE10AL3MBTL1SLC6A3
SCHEMBL1610751 0.79 LTC4S (0.42) L3MBTL1SLC6A3SMN1; SMN2KDM4EALDH1A1
SCHEMBL12712701 0.79 CHRM3 (0.41) TSHRMAPK1PDE10AL3MBTL1SMN1; SMN2
SCHEMBL1609217 0.79 CHRM3 (0.41) TSHRMAPK1PDE10ACHRM3PDE4A

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 1 patent. 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

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 CRHR1 4245/4885TSHR 533/4885MAPK1 1418/4885

“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.