SCHEMBL5083430

SCHEMBL5083430

Nc1c2c(nc3ccccc13)CCC(O)C2O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
ALDH1A1 P00352 1/20 0.66
NR3C1 P04150 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
Velnacrine SCHEMBL194467 0.79 CYP1A2 (1.00) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL4780466 0.77 ACHE (0.66) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL20402681 0.75 TSHR (0.51) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL3807927 0.75 CYP1A2 (0.72) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL27937060 0.73 ACHE (0.70) ACHECYP1A2CYP2C9TSHRALDH1A1
Hydrochloric Acid SCHEMBL3242591 0.73 TSHR (0.70) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9547653 0.73 ACHE (1.00) ACHECYP1A2CYP2C9TSHRALDH1A1
Hydrochloric Acid SCHEMBL9547702 0.72 ACHE (0.97) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL20720692 0.72 ACHE (0.53) ACHECYP1A2CYP2C9TSHRALDH1A1
Velnacrine SCHEMBL637476 0.72 TSHR (0.83) ACHECYP1A2CYP2C9TSHRALDH1A1

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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0499231-B1 9-Aminotetrahydroacridines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1997-05-21 EP disclosed
US-5502203-A FOR ACRIDINE COMPOUNDS USED IN TREATMENT OF ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-26 US disclosed
US-5382594-A Cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-01-17 US disclosed
EP-0589900-A1 ALZHEIMER'S DISEASE TREATMENT WITH TACRINE METABOLITES INSTITUTE OF PSYCHIATRY (GB) 1994-04-06 EP disclosed
US-5210087-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-11 US disclosed
WO-1992022534-A1 ALZHEIMER'S DISEASE TREATMENT WITH TACRINE METABOLITES MARCHBANKS ROGER MICHAEL (GB) 1992-12-23 WO disclosed
EP-0499231-A1 9-Aminotetrahydroacridines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-19 EP 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN ACHE 16/4885CYP1A2 4587/4885CYP2C9 4811/4885

“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.