SCHEMBL16554354

SCHEMBL16554354

N#CC1(c2cncc(Br)c2)C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
OPRL1 P41146 1/20 0.33
RIPK2 O43353 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B2 P19099 3/20 0.33
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
CYP11B1 P15538 1/20 0.31

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
SCHEMBL16554216 0.85 NPSR1 (0.35) NPSR1ALDH1A1OPRL1RIPK2MEN1
SCHEMBL17940888 0.85 NPSR1 (0.35) NPSR1ALDH1A1OPRL1RIPK2MEN1
SCHEMBL17940845 0.84 NPSR1 (0.37) NPSR1ALDH1A1OPRL1RIPK2MEN1
SCHEMBL16115082 0.83 CHRM2 (0.39) RIPK2
SCHEMBL16116308 0.83 CHRM2 (0.39) RIPK2
SCHEMBL17507206 0.83 CHRM2 (0.39) RIPK2
SCHEMBL7985946 0.83 RIPK2 (0.32) NPSR1L3MBTL4L3MBTL3L3MBTL1RIPK2
SCHEMBL7222900 0.82 OPRL1 (0.36) OPRL1RIPK2
SCHEMBL7972022 0.81 RIPK2 (0.32) L3MBTL4L3MBTL3L3MBTL1OPRL1RIPK2
SCHEMBL7697916 0.80 OPRL1 (0.40) ALDH1A1POLBOPRL1RIPK2TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214974-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 US disclosed
EP-3041833-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-07-13 EP disclosed
WO-2015032617-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-12 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-20160214974-A1 INSECTICIDAL COMPOUNDS ACHE, CYP1B1, CHRM1 NPSR1 696/4885ALDH1A1 78/4885L3MBTL4 1127/4885

“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.