SCHEMBL3835485

SCHEMBL3835485

COC(=O)[C@@H](N)Cc1ccc(C2=CCN(C(C)=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.53
NAMPT P43490 5/20 0.43
PTGS2 P35354 1/20 0.41
WNT3A P56704 1/20 0.40
SYK P43405 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PRMT5 O14744 1/20 0.38

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
SCHEMBL3831967 0.88 NAMPT (0.46) QDPRNAMPTALDH1A1ALOX15TSHR
SCHEMBL3836373 0.85 NAMPT (0.51) NAMPTPPARGPPARAALDH1A1NPC1
SCHEMBL3831887 0.83 MMP2 (0.43) NAMPTPTGS2WNT3ASYK
SCHEMBL3834847 0.83 ALDH1A1 (0.62) NAMPTALDH1A1SMN1; SMN2
SCHEMBL3837172 0.83 DPP4 (0.46) NAMPTTSHRSMN1; SMN2
SCHEMBL14023921 0.82 QDPR (0.53) QDPRNAMPTWNT3ASYKALDH1A1
SCHEMBL3830930 0.82 NAMPT (0.59) NAMPTPPARGPPARATDP1ALDH1A1
SCHEMBL3834475 0.82 NAMPT (0.54) NAMPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3835804 0.81 ALDH1A1 (0.40) QDPRNAMPTPTGS2WNT3AALDH1A1
SCHEMBL3834243 0.80 MAPK1 (0.56) NAMPTPPARGPPARATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 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-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B QDPR 369/4885NAMPT 1766/4885PTGS2 2182/4885

“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.