SCHEMBL4513489

SCHEMBL4513489

COCCCC(C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.52
CHRM2 P08172 7/20 0.52
LMNA P02545 2/20 0.52
KCNH2 Q12809 2/20 0.52
CHRM1 P11229 2/20 0.52
CYP2D6 P10635 1/20 0.52
KDM4E B2RXH2 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL2984162 0.81 CHRM3 (0.56) CHRM3CHRM2LMNAKCNH2CHRM1
Hydrochloric Acid SCHEMBL30448099 0.80 CHRM3 (0.55) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL29882115 0.80 CHRM3 (0.50) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL4138872 0.80 CHRM3 (0.54) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL18248596 0.79 CHRM3 (0.54) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL18248486 0.79 CHRM3 (0.54) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL7643094 0.79 CHRM3 (0.54) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL17749475 0.78 CHRM3 (0.53) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL9295790 0.78 CHRM3 (0.59) CHRM3CHRM2LMNAKCNH2CHRM1
SCHEMBL9426385 0.77 CHRM3 (0.52) CHRM3CHRM2LMNAKCNH2CHRM1

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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed

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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CHRM3 1261/4885CHRM2 1252/4885LMNA 2165/4885

“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.