SCHEMBL9611325

SCHEMBL9611325

CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H]1[C@@H](Oc1ccc(F)c(F)c1)CN2c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 4/20 0.36
DPP8 Q6V1X1 3/20 0.36
KIF11 P52732 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
DPP4 P27487 4/20 0.35
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 2/20 0.33
SCN9A Q15858 1/20 0.33
SLC6A9 P48067 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP7 Q9UHL4 3/20 0.32
FAP Q12884 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
SCHEMBL2706924 1.00 DPP9 (0.36) DPP9DPP8KIF11KCNH2HRH2
SCHEMBL9613437 0.84 XIAP (0.43)
SCHEMBL8515533 0.84 XIAP (0.43)
SCHEMBL13017521 0.84 DPP9 (0.39) DPP9DPP8KIF11KCNH2HRH2
SCHEMBL8513697 0.82 CASP1 (0.40) DPP8KIF11KCNH2DPP4DPP7
SCHEMBL9611324 0.82 CASP1 (0.40) DPP8KIF11KCNH2DPP4DPP7
SCHEMBL9611330 0.82 DPP8 (0.39) DPP9DPP8KIF11KCNH2HRH2
SCHEMBL2732996 0.82 DPP8 (0.39) DPP9DPP8KIF11KCNH2HRH2
SCHEMBL9611321 0.80 DPP9 (0.36) DPP9DPP8KIF11KCNH2HRH2
SCHEMBL2725254 0.80 DPP9 (0.36) DPP9DPP8KIF11KCNH2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 DPP9 23/4885DPP8 32/4885KIF11 4263/4885

“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.