SCHEMBL12299552

SCHEMBL12299552

CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H]1[C@H](c1c[nH]c3cc(F)ccc13)CN2C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 3/20 0.41
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 2/20 0.38
DRD2 P14416 3/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 3/20 0.37
KCNH2 Q12809 3/20 0.37
HTR7 P34969 2/20 0.37
HSD11B1 P28845 2/20 0.36
ADRA1D P25100 2/20 0.36
TDO2 P48775 3/20 0.35
KIF11 P52732 1/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
FAP Q12884 1/20 0.33

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
SCHEMBL2439712 1.00 DPP8 (0.41) DPP8DPP9DPP4DPP7DRD2
SCHEMBL12299538 0.85 SLC6A4 (0.38) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL2439389 0.85 SLC6A4 (0.38) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL13448813 0.85 SLC6A4 (0.38) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL2440387 0.84 ELANE (0.35) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL12299545 0.84 ELANE (0.35) DRD2SLC6A4HTR2AKCNH2HTR7
SCHEMBL12329641 0.84 TNF (0.42) DRD2HTR2AKCNH2HTR7
SCHEMBL2440956 0.84 TNF (0.42) DRD2HTR2AKCNH2HTR7
SCHEMBL12299766 0.84 TNF (0.42) DRD2HTR2AKCNH2HTR7
SCHEMBL12329391 0.82 XIAP (0.43)

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-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 DPP8 32/4885DPP9 23/4885DPP4 34/4885

“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.