SCHEMBL17490358

SCHEMBL17490358

CC(O)(c1ccccn1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CHRM3 P20309 4/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 4/20 0.39
AHR P35869 1/20 0.39
NR3C1 P04150 1/20 0.36
RIPK1 Q13546 1/20 0.36
NPY2R P49146 1/20 0.36
BLM P54132 1/20 0.36
CYP2D6 P10635 1/20 0.36
GRM1 Q13255 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL17490363 0.93 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A
SCHEMBL17490336 0.93 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A
SCHEMBL16132528 0.91 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A
SCHEMBL16132353 0.82 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A
SCHEMBL2674710 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3CHRM2AHR
SCHEMBL8972314 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3CHRM2RIPK1
SCHEMBL21742129 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3CHRM2AHR
SCHEMBL21742121 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3CHRM2AHR
SCHEMBL16132502 0.77 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3MEN1KMT2A
SCHEMBL10697753 0.76 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1CHRM3RIPK1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 3186/4885L3MBTL1 1346/4885CHRM3 2978/4885

“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.