SCHEMBL3538352

SCHEMBL3538352

CCOC(=O)c1cncc(N2C[C@@H](C)N[C@@H](C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
SCARB1 Q8WTV0 1/20 0.47
CHRNB4 P30926 9/20 0.45
CHRNA3 P32297 9/20 0.45
ATM Q13315 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3538355 1.00 CYP2C9 (0.51) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL20188020 0.83 CYP2C19 (0.60) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL3538904 0.81 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3538907 0.81 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1843239 0.81 CYP2C9 (0.52) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL65289 0.80 HTT (0.54) DPP4DPP8DPP9DPP7SCARB1
SCHEMBL64329 0.80 HTT (0.54) DPP4DPP8DPP9DPP7SCARB1
SCHEMBL118352 0.80 CHRNB2 (0.57) CYP2C9CYP2C19DPP4DPP8DPP9
SCHEMBL20193319 0.79 CYP2C19 (0.56) CYP2C9CYP2C19DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL3338273 0.77 DPP4 (0.59) CYP2C9CYP2C19DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
US-7713978-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-05-11 US disclosed
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 US 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
US-20070238737-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20070238737-A1 NOVEL COMPOUNDS FABP2, VIP, SLC10A2 CYP2C9 482/4885CYP2C19 162/4885DPP4 988/4885

“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.