SCHEMBL2707640

SCHEMBL2707640

CC(C)(C)OC(=O)N1CC(OCc2ccc(F)cc2)C2NCCC21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
KLK7 P49862 1/20 0.40
TACR1 P25103 3/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
CCR3 P51677 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL9611358 1.00 BACE1 (0.41) BACE1BACE2KLK7TACR1DDB1
SCHEMBL9613455 0.86 BACE1 (0.36) BACE1BACE2
SCHEMBL9611499 0.83 KLK7 (0.42) KLK7
SCHEMBL8350117 0.77 CHRM2 (0.40)
SCHEMBL9611359 0.77 KLK7 (0.46) KLK7
SCHEMBL8515007 0.77 KLK7 (0.46) KLK7
SCHEMBL8510451 0.76 GPR119 (0.40) TACR1GPR119
SCHEMBL9611316 0.76 GPR119 (0.40) TACR1GPR119
SCHEMBL9611290 0.76 USP30 (0.42) KLK7TACR1GPR119
SCHEMBL2724151 0.76 USP30 (0.42) KLK7TACR1GPR119

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 4 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-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
EP-2434890-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP 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 BACE1 33/4885BACE2 41/4885KLK7 2479/4885

“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.