SCHEMBL635075

SCHEMBL635075

COC(=O)C1CC(OC)(c2ccc(-c3ccccc3)cc2)CN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL635074 1.00 BACE1 (0.47) BACE1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL13267130 1.00 BACE1 (0.47) BACE1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL637332 0.86 BACE1 (0.42) BACE1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL637331 0.86 BACE1 (0.42) BACE1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8149880 0.84 BACE1 (0.43) BACE1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL13379715 0.84 BACE1 (0.43) BACE1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1989659 0.83 BACE1 (0.40) BACE1MAPTKDM4EALDH1A1HPGD
SCHEMBL1983696 0.83 BACE1 (0.40) BACE1MAPTKDM4EALDH1A1HPGD
SCHEMBL17400514 0.83 BACE1 (0.48) BACE1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8200731 0.83 BACE1 (0.48) BACE1SLC6A2SLC6A4SLC6A3MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed
US-7888464-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
EP-2086980-B1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-12-22 EP disclosed
US-7763584-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-20090274648-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
EP-2086995-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
EP-2086980-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
US-20080145334-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
WO-2008064066-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008064061-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 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 (2 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-20090274648-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, PYGL BACE1 4215/4885SLC6A2 3827/4885SLC6A4 3972/4885
US-20080145334-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, VIP BACE1 3451/4885SLC6A2 4597/4885SLC6A4 4456/4885

“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.