SCHEMBL5201292

SCHEMBL5201292

CC(C)CCN(C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.41
CHRNA4 P43681 6/20 0.41
CHRNB4 P30926 5/20 0.41
CHRNA3 P32297 3/20 0.41
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 3/20 0.36
ALOX5 P09917 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NAMPT P43490 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL26758012 0.86 NOS3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3NOS3
SCHEMBL967972 0.80
SCHEMBL7587252 0.79 LMNA (0.35) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL20561644 0.78 ALDH1A1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12384299 0.78 ALDH1A1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL2668603 0.78 CA1 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL19506126 0.77 GAA (0.35) CHRNB2CHRNA4CHRNB4ALDH1A1NOS3
SCHEMBL4328504 0.76 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL17520516 0.76 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL14617687 0.76 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1

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
WO-2023215740-A1 IMMUNOMODULATORY ANTIBODY-DRUG CONJUGATES SEAGEN INC. (US) 2023-11-09 WO disclosed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CHRNB2 3691/4885CHRNA4 3647/4885CHRNB4 3732/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 CHRNB2 4183/4885CHRNA4 3810/4885CHRNB4 4500/4885

“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.