SCHEMBL12299487

SCHEMBL12299487

N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](c1c[nH]c3ccccc13)CN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
DPP4 P27487 7/20 0.42
DPP7 Q9UHL4 6/20 0.42
KCNH2 Q12809 3/20 0.42
CCR5 P51681 1/20 0.41
AGTR2 P50052 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL12299514 1.00 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12299511 0.85 CTSL (0.47)
SCHEMBL13449172 0.85 CTSL (0.47)
SCHEMBL12299486 0.85 CTSL (0.47)
SCHEMBL13449164 0.85 CTSL (0.47)
SCHEMBL12299490 0.83 CTSK (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12299516 0.83 CTSK (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13449085 0.83 CTSK (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12299504 0.81 ELANE (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12299479 0.81 ELANE (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2

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 GABRA1 4315/4885GABRG2 4054/4885GABRB3 3440/4885

“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.