SCHEMBL21037758

SCHEMBL21037758

CC(C)N1CCC(n2nccc2C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 3/20 0.41
SPR P35270 1/20 0.38
OGA O60502 2/20 0.38
PIK3CD O00329 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAPK14 Q16539 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21037755 0.83 GAA (0.59) GAASMN1; SMN2SPRPIK3CDMEN1
SCHEMBL30146873 0.78 PIK3CD (0.38) GAASMN1; SMN2SPRPIK3CDMEN1
SCHEMBL30146858 0.78 PIK3CD (0.38) GAASMN1; SMN2SPRPIK3CDMEN1
SCHEMBL18711313 0.77 SPR (0.47) GAASMN1; SMN2SPRKMT2A
SCHEMBL17963421 0.77 GAA (0.69) GAASMN1; SMN2NR3C1PIK3CDMEN1
SCHEMBL18711320 0.75 SPR (0.46) GAASMN1; SMN2SPRKMT2A
SCHEMBL21023948 0.72 NR3C1 (0.38) GAANR3C1OGAPIK3CDHRH3
SCHEMBL18965036 0.71 OGA (0.40) NR3C1OGAHRH3L3MBTL1
SCHEMBL19954641 0.70 NR3C1 (0.35) NR3C1OGAHRH3L3MBTL1
SCHEMBL23036782 0.70 MEN1 (0.33) GAASMN1; SMN2SPRMEN1KMT2A

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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 GAA 769/4885SMN1; SMN2 2530/4885NR3C1 4709/4885

“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.