SCHEMBL24120331

SCHEMBL24120331

CC#Cc1cc(C)c(C2C(=O)CC3(CC2=O)CN(C(=O)c2ccccc2OC)C3)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TYR P14679 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD3 P35462 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL24120301 0.86 ALDH1A1 (0.39) LMNAALDH1A1HPGDDRD3KMT2A
SCHEMBL23748397 0.85 GRM5 (0.35) HTTLMNAALDH1A1MAPK1MGLL
SCHEMBL24120434 0.83 GPR183 (0.43) TSHRUSP2ALDH1A1HPGDCYP2C19
SCHEMBL24120470 0.83 L3MBTL1 (0.42) LMNAALDH1A1HPGDDRD3CA12
SCHEMBL24120297 0.82 PDE4B (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL24120373 0.81 NNMT (0.34)
SCHEMBL24120288 0.81
SCHEMBL24120410 0.81 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL24426554 0.80 ALDH1A1 (0.43) HTTMAPTALDH1A1HPGDCYP2C9
SCHEMBL23748396 0.80

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-20210395196-A1 HERBICIDAL 2-AZASPIRO[3-5]NONANE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-23 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-20210395196-A1 HERBICIDAL 2-AZASPIRO[3-5]NONANE COMPOUNDS DDT, AZI2, CBR3 HTT 2090/4885HCRTR1 160/4885HCRTR2 384/4885

“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.