SCHEMBL16446458

SCHEMBL16446458

CC(=O)N1C2CC1CN(C1CCNCC1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32

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
SCHEMBL28066516 0.81 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL30853294 0.79 CHRM2 (0.54)
SCHEMBL18711898 0.78 SMN1; SMN2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL25628518 0.75 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL6967058 0.75 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL8187750 0.74 SMN1; SMN2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL6977971 0.74 SMN1; SMN2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL18711900 0.73 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL3278803 0.70 HRH3 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL30853288 0.70 CHRM2 (0.51)

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 5 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
EP-3030561-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE Cadila Healthcare Limited (IN) 2016-06-15 EP disclosed
WO-2015019365-A1 N-CYANOMETHYLAMIDES AS INHIBITORS OF JANUS KINASE CADILA HEALTHCARE LIMITED (IN) 2015-02-12 WO 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 CHRNB2 4370/4885CHRNA3 2837/4885CHRNA4 3909/4885

“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.