SCHEMBL2990214

SCHEMBL2990214

CN1CCC(NC(=O)c2cc[c]c(C(N)=O)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMYD3 Q9H7B4 3/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HSD11B1 P28845 2/20 0.40
PRKAA2 P54646 1/20 0.40
DCLK1 O15075 1/20 0.39
PDPK1 O15530 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
PIM1 P11309 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL25690440 0.74 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL25053099 0.74 HSD11B1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL24151463 0.74 GRM5 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4HSD11B1
SCHEMBL30380486 0.73 HSD11B1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL24148772 0.73 HSD11B1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL13267799 0.73 PRKAA2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4HSD11B1
SCHEMBL3002690 0.72 PIM1 (0.39) PIM1ALDH1A1
SCHEMBL3313500 0.72 POLB (0.39) JAK3MAPK1ALDH1A1DYRK1A
SCHEMBL10263897 0.72 SMYD3 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3
SCHEMBL30380003 0.72 CD38 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SMYD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CHRNB2 2808/4885CHRNB4 3807/4885CHRNA3 4181/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CHRNB2 2808/4885CHRNB4 3807/4885CHRNA3 4181/4885

“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.