SCHEMBL6044945

SCHEMBL6044945

[CH2][C@@H]1CCN(C(N)=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL6044863 1.00 CYP3A4 (0.33) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL6045233 0.88 HSD17B10 (0.33) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL6045399 0.88 HSD17B10 (0.33) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL9634771 0.75 PIK3CD (0.40) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL8779711 0.75 CYP3A4 (0.33) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL29209657 0.72 PTPN1 (0.32) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31326051 0.71 DPP4 (0.34) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4703842 0.68 HSD17B10 (0.36)
SCHEMBL1114602 0.68 CYP3A4 (0.44) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL6204993 0.66 HTT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US claimed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP claimed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US claimed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 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-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 CYP3A4 1974/4885TSHR 876/4885TDP1 821/4885

“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.