SCHEMBL17856434

SCHEMBL17856434

CC(=O)N1C2CC1CN(C(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB3 Q05901 2/20 0.33
CHRNA6 Q15825 2/20 0.33
CHRNB4 P30926 1/20 0.31
CHRNA7 P36544 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
SCHEMBL20008986 0.88 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL20148599 0.82 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23583223 0.81 HRH3 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24444263 0.80 MEN1 (0.31) SMN1; SMN2
SCHEMBL21738122 0.79 CYP2D6 (0.33)
SCHEMBL20071302 0.79 HRH3 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27306434 0.78 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20148596 0.77 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL24767230 0.77 HRH3 (0.33)
SCHEMBL21738111 0.77 HRH3 (0.46)

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-9556148-B2 N-cyanomethylamides as inhibitors of janus kinase CADILA HEALTHCARE LIMITED (IN) 2017-01-31 US disclosed
EP-3030561-B1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LTD (IN) 2017-01-11 EP disclosed
US-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2016-06-23 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-20160176849-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE JAK1, JAK3, JAK2 SMN1; SMN2 3957/4885CHRNB2 4370/4885CHRNA3 2837/4885

“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.