SCHEMBL5218033

SCHEMBL5218033

CCNc1cc(C(=O)OC)cc([N+](=O)[O-])c1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.52
▸ MAPT P10636 7/20 0.46
▸ VCAM1 P19320 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5217104 0.84 VCAM1 (0.55) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL2019450 0.81 HCAR3 (0.58) HCAR3MAPTVCAM1KMT2AALDH1A1
SCHEMBL2248076 0.81 HCAR3 (0.74) HCAR3MAPTVCAM1KMT2AALDH1A1
SCHEMBL29930566 0.80 VCAM1 (0.51) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL5217118 0.80 VCAM1 (0.51) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL443612 0.79 ALDH1A1 (0.51) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL20839509 0.79 TPMT (0.54) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL636992 0.79 VCAM1 (0.50) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL1759189 0.77 MAPT (0.50) MAPTVCAM1KMT2AKDM4EALDH1A1
SCHEMBL18031418 0.77 ALDH1A1 (0.49) MAPTVCAM1KMT2AKDM4EALDH1A1

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 — — US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 — — EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 — — CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 — — EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 — — 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 HCAR3 645/4885MAPT 16/4885VCAM1 843/4885

“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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