SCHEMBL2437607

SCHEMBL2437607

CC(C)(C)OC(=O)N1CCC2C1CCN2C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCR5 P51681 1/20 0.49

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
SCHEMBL12299749 1.00 ELANE (0.51) ELANENPC1RAB9ASMN1; SMN2CCR5
SCHEMBL10169570 0.96 PREP (0.53)
SCHEMBL929468 0.95 AGTR2 (0.49) ELANECCR5
SCHEMBL18477527 0.95 FKBP1A (0.52)
SCHEMBL30315726 0.95 PDK1 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL30315793 0.95 PDK1 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL10170415 0.91 ELANE (0.50) ELANE
SCHEMBL31727301 0.88 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2CCR5
SCHEMBL31727280 0.88 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2CCR5
SCHEMBL2632237 0.87 ELANE (0.49) ELANE

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-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

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 ELANE 692/4885NPC1 757/4885RAB9A 1074/4885

“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.