SCHEMBL8514735

SCHEMBL8514735

CC(C)(C)OC(=O)N1CC(OCc2ccc(F)cc2)C2NCC=C21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
S1PR5 Q9H228 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
P2RX7 Q99572 1/20 0.34
HTT P42858 1/20 0.34
KLK7 P49862 1/20 0.34
KDM1A O60341 1/20 0.34
CCR3 P51677 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL8510456 0.76 GPR119 (0.39) GPR119
SCHEMBL2724153 0.76 USP30 (0.43) KDM1AGPR119
SCHEMBL2707640 0.75 BACE1 (0.41) BACE1BACE2DDB1CRBNKLK7
SCHEMBL9611358 0.75 BACE1 (0.41) BACE1BACE2DDB1CRBNKLK7
SCHEMBL22047155 0.73 BACE1 (0.43) BACE1BACE2S1PR5DDB1CRBN
SCHEMBL21996478 0.73 BACE1 (0.43) BACE1BACE2S1PR5DDB1CRBN
SCHEMBL8514291 0.73 DPP8 (0.39) BACE1BACE2POLBNPC1RAB9A
SCHEMBL4050280 0.73 CHRM2 (0.35) DDB1CRBNPOLBKDM1AGPR119
SCHEMBL5941747 0.73 CHRM2 (0.35) DDB1CRBNPOLBKDM1AGPR119
SCHEMBL16434872 0.73 BACE1 (0.49) BACE1BACE2DDB1CRBNKDM1A

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-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

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 41/4885S1PR5 3852/4885

“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.