SCHEMBL7670995

SCHEMBL7670995

COc1cccc(COC2CN(C(=O)[C@H](N)CC(C)C)CC2O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MC4R P32245 2/20 0.41
SLC1A5 Q15758 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CACNA1B Q00975 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TACR1 P25103 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
ANPEP P15144 1/20 0.38
CTSK P43235 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 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
SCHEMBL7670989 1.00 KDM4E (0.41) KDM4EALDH1A1MC4RSLC1A5TAAR1
SCHEMBL7666925 0.88 CACNA1B (0.41) ALDH1A1MC4RCACNA1BANPEPCTSK
SCHEMBL7666920 0.88 CACNA1B (0.41) ALDH1A1MC4RCACNA1BANPEPCTSK
SCHEMBL7665262 0.87 SLC7A5 (0.45) KDM4EALDH1A1CACNA1BCTSK
SCHEMBL7665272 0.87 SLC7A5 (0.45) KDM4EALDH1A1CACNA1BCTSK
SCHEMBL7659977 0.81 CTSK (0.62) CTSK
SCHEMBL7660322 0.78 CTSK (0.43) MEN1KMT2AANPEPCTSK
SCHEMBL7664549 0.77 DPP8 (0.44) ALDH1A1CACNA1BTDP1IDO1
SCHEMBL7664543 0.77 DPP8 (0.44) ALDH1A1CACNA1BTDP1IDO1
SCHEMBL7671477 0.74 DPP4 (0.35) CACNA1BCTSK

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-20020082426-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-27 US disclosed
EP-1086083-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-09-26 EP disclosed
EP-1086083-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-28 EP disclosed
WO-1999064399-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-16 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-20020082426-A1 Protease inhibitors CTSK, CTSZ, CTSB KDM4E 2200/4885ALDH1A1 2251/4885MC4R 4239/4885

“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.