SCHEMBL4280096

SCHEMBL4280096

CC(C)NC(=O)C1CCC1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.37
EPHX2 P34913 1/20 0.35
CTSC P53634 5/20 0.35
KCNH2 Q12809 2/20 0.35
GABRR1 P24046 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
KCNQ3 O43525 1/20 0.33

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
SCHEMBL4280099 1.00 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10148180 1.00 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2521039 0.90 CTSC (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL172091 0.90 CTSC (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2521041 0.90 CTSC (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16437471 0.87 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14087022 0.77 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24452040 0.76
SCHEMBL11996870 0.76 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20782041 0.76 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 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-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 CHRNB2 2548/4885CHRNB4 2779/4885CHRNA3 3307/4885

“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.