SCHEMBL5856688

SCHEMBL5856688

COC(=O)CCCN1CCN(CCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.59
▸ SIGMAR1 Q99720 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30737121 0.90 DRD2 (0.54) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL8254760 0.90 DRD2 (0.64) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL5856648 0.89 SIGMAR1 (0.66) DRD2SIGMAR1TDP1CACNA1HALDH1A1
SCHEMBL13609474 0.88 DRD2 (0.60) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL5031368 0.87 DRD2 (0.50) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL9127008 0.85 DRD2 (0.60) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL18604593 0.84 DRD2 (0.57) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL16708685 0.84 DRD2 (0.59) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL30380945 0.84 DRD2 (0.59) DRD2SIGMAR1TDP1GAAMEN1
SCHEMBL30380052 0.84 TDP1 (0.64) DRD2SIGMAR1TDP1GAAMEN1

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
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 — — US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 — — US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 — — US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 — — EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 — — US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 — — 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 (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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV DRD2 1646/4885SIGMAR1 443/4885TDP1 4783/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B DRD2 1572/4885SIGMAR1 605/4885TDP1 4626/4885

“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.

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