SCHEMBL20063343

SCHEMBL20063343

CN(C1CN(C(=O)C2CC2)C1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.44
CHRNA3 P32297 10/20 0.44
CHRNA4 P43681 10/20 0.44
CHRNB3 Q05901 5/20 0.44
CHRNA6 Q15825 5/20 0.44
CHRNB4 P30926 5/20 0.43
CHRNA7 P36544 5/20 0.43
HSD11B1 P28845 5/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
HSD11B2 P80365 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL20095971 0.80 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27022625 0.77 HPGD (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27022681 0.77 HPGD (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27022628 0.77 HPGD (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27022627 0.76 HPGD (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16254567 0.76 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20063334 0.74 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16252579 0.73 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12227441 0.73 MCHR1 (0.38) HSD11B1
SCHEMBL18595964 0.73 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CHRNB2 3015/4885CHRNA3 2430/4885CHRNA4 2460/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CHRNB2 2998/4885CHRNA3 2431/4885CHRNA4 2538/4885

“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.