SCHEMBL20186755

SCHEMBL20186755

CCNC(=O)OC(C)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.36
CTSK P43235 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL5638554 0.83 SMN1; SMN2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL24441010 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL28877185 0.79 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL6934228 0.78
SCHEMBL21994867 0.78
SCHEMBL969919 0.78
SCHEMBL25379939 0.78 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL25379943 0.78 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL26198744 0.78 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL6936558 0.77 TSHR (0.37) CTSKALDH1A1LMNACHRM2CHRM4

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
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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 (2 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D CHRNB2 1412/4885CHRNB4 1599/4885CHRNA3 855/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CHRNB2 1412/4885CHRNB4 1599/4885CHRNA3 855/4885

“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.