SCHEMBL3538907

SCHEMBL3538907

CC1CN(c2cncc(C(=O)O)c2)CC(C)N1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 14/20 0.49
CHRNA3 P32297 14/20 0.49
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL3538904 1.00 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HCAR2
SCHEMBL3538352 0.81 CYP2C9 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3538355 0.81 CYP2C9 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL31125777 0.80 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HCAR2
SCHEMBL1843614 0.79 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL3537744 0.79 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3537741 0.79 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29420013 0.77 CHRNB2 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4HCAR2
SCHEMBL20187819 0.77 CHRNB2 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4HCAR2
SCHEMBL1665710 0.76 USP2 (0.58)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
EP-2013178-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2009-01-14 EP disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
WO-2007113202-A1 PIPERAZINE DERIVATIVES AS GROWTH HORMONE SECRETAGOGUE (GHS) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO 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-20070238737-A1 NOVEL COMPOUNDS FABP2, VIP, SLC10A2 CHRNB4 2397/4885CHRNA3 2876/4885CHRNB2 1921/4885

“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.