SCHEMBL2734906

SCHEMBL2734906

COC([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
NPY5R Q15761 1/20 0.40
SLC6A9 P48067 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9892968 1.00 CHRNB4 (0.43) CHRNB4CHRNA3NPY5RSLC6A9CYP2D6
SCHEMBL18473157 1.00 CHRNB4 (0.43) CHRNB4CHRNA3NPY5RSLC6A9CYP2D6
SCHEMBL24736540 1.00 CHRNB4 (0.43) CHRNB4CHRNA3NPY5RSLC6A9CYP2D6
SCHEMBL9892960 0.88 NPY5R (0.39) NPY5RCYP2D6
SCHEMBL21315594 0.88 NPY5R (0.39) NPY5RCYP2D6
SCHEMBL17555699 0.88 NPY5R (0.39) NPY5RCYP2D6
SCHEMBL25130480 0.88 NPY5R (0.39) NPY5RCYP2D6
SCHEMBL14957030 0.88 NPY5R (0.39) NPY5RCYP2D6
SCHEMBL14957031 0.88 NPY5R (0.39) NPY5RCYP2D6
SCHEMBL22915321 0.88 CHRNB4 (0.40) CHRNB4CHRNA3

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-8088378-B2 Anti-CD79B antibodies and immunoconjugates and methods of use GENETECH INC. (US) 2012-01-03 US disclosed
US-20090028856-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use GENENTECH, INC. (US) 2009-01-29 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-20090028856-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use CD99, CD79B, CD47 CHRNB4 2590/4885CHRNA3 2489/4885NPY5R 4516/4885

“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.