SCHEMBL4370494

SCHEMBL4370494

CNC(C(=O)N1CCCC1C(=O)OC)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.58
PEPD P12955 4/20 0.49
XPNPEP1 Q9NQW7 2/20 0.49
POLB P06746 1/20 0.48
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
FKBP1A P62942 1/20 0.43
ACE P12821 4/20 0.41
REN P00797 3/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL6738391 1.00 DPP4 (0.58) DPP4PEPDXPNPEP1POLBDPP8
SCHEMBL13673006 0.87 BIRC2 (0.49) DPP4PEPDXPNPEP1POLBDPP8
SCHEMBL22811047 0.86 PEPD (0.47) DPP4PEPDXPNPEP1POLBDPP8
SCHEMBL12599485 0.86 CYP3A4 (0.49) DPP4PEPDXPNPEP1POLBDPP8
SCHEMBL30534327 0.85 DPP4 (0.61) DPP4PEPDACERENKDM4E
SCHEMBL17305538 0.85 DPP4 (0.61) DPP4PEPDACERENKDM4E
SCHEMBL6978337 0.85 DPP4 (0.61) DPP4PEPDACERENKDM4E
SCHEMBL17020372 0.85 DPP4 (0.61) DPP4PEPDDPP8DPP9ACE
SCHEMBL8363726 0.83 DPP4 (0.53) DPP4PEPDDPP8DPP9ACE
SCHEMBL17037452 0.83 PEPD (0.52) PEPDXPNPEP1POLBFKBP1AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR DPP4 4533/4885PEPD 4783/4885XPNPEP1 3358/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR DPP4 4533/4885PEPD 4783/4885XPNPEP1 3358/4885

“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.