SCHEMBL14549685

SCHEMBL14549685

Cc1nc2c(o1)CN([C@H]1CC[C@](CN)(c3cccc(Cl)c3)CC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.58
DPP8 Q6V1X1 7/20 0.58
DPP9 Q86TI2 6/20 0.58
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 2/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
SLC6A2 P23975 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
SCHEMBL8181509 1.00 DPP4 (0.58) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14483422 0.99 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14483324 0.99 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14483328 0.99 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
SCHEMBL8180983 0.81 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14482302 0.80 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14482305 0.80 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14482304 0.80 DPP4 (0.57) DPP4DPP8DPP9CYP2D6KCNH2
SCHEMBL14550999 0.78 DPP4 (0.53) DPP4DPP8DPP9CYP2D6KCNH2
Hydrochloric Acid SCHEMBL14482418 0.77 DPP4 (0.54) DPP4DPP8DPP9CYP2D6KCNH2

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-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.