SCHEMBL3834847

SCHEMBL3834847

COC(=O)[C@@H](N)Cc1ccc(C2=CCN(C(=O)c3ccccn3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NAMPT P43490 10/20 0.55
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
DPP4 P27487 2/20 0.41
LNPEP Q9UIQ6 1/20 0.41
MAPT P10636 1/20 0.39
DPP9 Q86TI2 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
SCHEMBL3835804 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NAMPTL3MBTL1MAPT
SCHEMBL3835485 0.83 QDPR (0.53) ALDH1A1SMN1; SMN2NAMPT
SCHEMBL3822163 0.81 AKT1 (0.43) ALDH1A1SMN1; SMN2NAMPTL3MBTL1
SCHEMBL3836373 0.80 NAMPT (0.51) ALDH1A1SMN1; SMN2NAMPTDPP4MAPT
SCHEMBL3834877 0.79 HRH4 (0.45)
SCHEMBL3830930 0.79 NAMPT (0.59) ALDH1A1NAMPTL3MBTL1
SCHEMBL3834475 0.79 NAMPT (0.54) ALDH1A1SMN1; SMN2NAMPTCCNT1CDK9
SCHEMBL3831967 0.78 NAMPT (0.46) ALDH1A1NAMPTDPP4
SCHEMBL3837172 0.77 DPP4 (0.46) SMN1; SMN2NAMPTDPP4DPP9
SCHEMBL4148780 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NAMPT

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 6 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
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US 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
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 ALDH1A1 1156/4885SMN1; SMN2 2699/4885NAMPT 1766/4885

“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.