SCHEMBL4750220

SCHEMBL4750220

CCOC(=O)[C@H](Cc1ccc(N)cc1)NC1=CC(=O)C12CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.44
ITGA4 P13612 4/20 0.44
PPID Q08752 3/20 0.43
PPIB P23284 2/20 0.37
ELANE P08246 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPRT1 P00492 1/20 0.33
MMP1 P03956 1/20 0.33
PPARG P37231 1/20 0.33
NLRP3 Q96P20 1/20 0.32
ATM Q13315 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL4750224 1.00 ITGB1 (0.44) ITGB1ITGA4PPIDPPIBELANE
SCHEMBL4734985 0.92 ITGB1 (0.43) ITGB1ITGA4ELANEL3MBTL1MMP1
SCHEMBL6131684 0.90 PPID (0.41) ITGB1ITGA4PPIDPPIBELANE
SCHEMBL6131686 0.90 PPID (0.41) ITGB1ITGA4PPIDPPIBELANE
SCHEMBL6532346 0.86 ITGB1 (0.41) ITGB1ITGA4LMNACYP1A2CYP3A4
SCHEMBL4737637 0.85 ITGB1 (0.42) ITGB1ITGA4PPIDELANEBACE1
SCHEMBL4735581 0.84 ITGB1 (0.46) ITGB1ITGA4ELANECYP3A4
SCHEMBL4732361 0.84 KCNQ2 (0.39) ITGB1ITGA4PPIDMMP1
SCHEMBL4734251 0.83 PPID (0.46) ITGB1ITGA4PPIDPPIBELANE
SCHEMBL4734039 0.82 MMP1 (0.42) ELANEMMP1

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
WO-2008125210-A1 QUINOLINE AND NAPHTHALENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN TREATMENT OF INFLAMMATORY DISEASES UCB PHARMA, S.A. (BE) 2008-10-23 WO disclosed
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 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 (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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 ITGB1 4148/4885ITGA4 3960/4885PPID 3167/4885

“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.