SCHEMBL22472908

SCHEMBL22472908

CC(C)(C)C(C#N)(c1ccccn1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM2 P08172 2/20 0.36
JAK2 O60674 2/20 0.34
ROCK2 O75116 2/20 0.34
PRKCA P17252 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCD Q05655 2/20 0.34
ROCK1 Q13464 2/20 0.34
PRKACA P17612 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
BLM P54132 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 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
SCHEMBL29650409 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2JAK2ROCK2
SCHEMBL1238391 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2JAK2ROCK2
SCHEMBL13342069 0.77 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KDM4EALDH1A1BLM
SCHEMBL2068478 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1CHRM2KDM4EALDH1A1
Acetonitrile SCHEMBL2818707 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2KDM4EALDH1A1
SCHEMBL15693459 0.76 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM2PRKCQJAK3
SCHEMBL18567270 0.74 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CHRM2KDM4EALDH1A1
SCHEMBL11629381 0.74 CHRM2 (0.44) SMN1; SMN2L3MBTL1CHRM2KDM4EALDH1A1
SCHEMBL7474039 0.74 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2KDM4EALDH1A1
SCHEMBL12040028 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CHRM2KDM4EALDH1A1

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-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-01-07 US disclosed
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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 (3 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-11773090-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 SMN1; SMN2 2514/4885L3MBTL1 3557/4885CHRM2 2/4885
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 SMN1; SMN2 2514/4885L3MBTL1 3557/4885CHRM2 2/4885
US-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 SMN1; SMN2 2514/4885L3MBTL1 3557/4885CHRM2 2/4885

“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.