SCHEMBL16490229

SCHEMBL16490229

CCC(=O)N1CC2CCC1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.39
CHRNA3 P32297 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNB3 Q05901 3/20 0.38
CHRNA6 Q15825 3/20 0.38
MAPT P10636 1/20 0.38
SOST Q9BQB4 1/20 0.38
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
TSHR P16473 3/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL14899361 0.88 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3235805 0.82 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20935149 0.76 OPRM1 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL13010648 0.76 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20738588 0.76 SOST (0.37) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL16490225 0.76 CHRNB2 (0.62) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL8369393 0.75 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
Trifluoroacetic Acid SCHEMBL3237253 0.74 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL1711526 0.73 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL2546533 0.73 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2020-12-10 US disclosed
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2015-02-19 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-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CHRNB2 387/4885CHRNA3 1056/4885CHRNA4 1323/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CHRNB2 2249/4885CHRNA3 1896/4885CHRNA4 2008/4885
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CHRNB2 387/4885CHRNA3 1056/4885CHRNA4 1323/4885

“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.