SCHEMBL4929412

SCHEMBL4929412

CN1CCN(C(=O)OC(C)(C)C)c2nc(CCO)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DHODH Q02127 1/20 0.34
KDM1A O60341 1/20 0.33
MPO P05164 1/20 0.33
POLB P06746 2/20 0.32
BRD4 O60885 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
NR1H2 P55055 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPK1 P28482 1/20 0.31
ACKR3 P25106 1/20 0.31

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
SCHEMBL5848087 0.90 HDAC1 (0.35) HDAC1HDAC6KDM1AMPOPOLB
SCHEMBL14294620 0.84 POLB (0.31) POLB
SCHEMBL5847969 0.82 L3MBTL1 (0.40) HDAC1HDAC6POLBMEN1KMT2A
SCHEMBL5847948 0.82 KDM1A (0.39) HDAC1HDAC6KDM1APOLBBRD4
SCHEMBL5847975 0.81 GPR119 (0.32) HDAC1HDAC6MPOBRD4MEN1
SCHEMBL861986 0.79 MPO (0.40) DHODHKDM1AMPOBRD4CHRM4
SCHEMBL4207156 0.78 CSNK2A1 (0.38) GPR119
SCHEMBL4253538 0.77 GPR119 (0.35) KDM1ADRD2GPR119
SCHEMBL6323174 0.76 USP2 (0.36) CHRM4DRD2HTR7MEN1KMT2A
SCHEMBL6266493 0.76 CSNK2A1 (0.35) MPOCHRM4MEN1KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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 (3 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 HDAC1 759/4885HDAC6 266/4885DHODH 2987/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B HDAC1 3561/4885HDAC6 2236/4885DHODH 2648/4885
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL HDAC1 270/4885HDAC6 82/4885DHODH 2831/4885

“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.