SCHEMBL5335894

SCHEMBL5335894

O=C1CC(=O)CC(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A2 P23975 15/20 0.47
SLC6A3 Q01959 15/20 0.47
SLC6A4 P31645 10/20 0.45
CYP2D6 P10635 7/20 0.45
KCNH2 Q12809 7/20 0.45
BACE1 P56817 1/20 0.44

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
SCHEMBL11820336 0.84 SLC6A2 (0.48) GAAMAPTTP53RECQLSLC6A2
SCHEMBL5422791 0.84 MAPT (0.47) GAAMAPTTP53RECQLSLC6A2
SCHEMBL30368131 0.84 SLC6A2 (0.49) GAAMAPTTP53RECQLSLC6A2
SCHEMBL14833300 0.81 PDE4A (0.47) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL734590 0.81 PDE4A (0.47) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL11823533 0.80 GAA (0.43) GAAMAPTTP53RECQLSLC6A2
SCHEMBL30368451 0.80 ALDH1A1 (0.46) GAAMAPTTP53RECQL
SCHEMBL14529789 0.80 MAPT (0.43) GAAMAPTTP53RECQLSLC6A2
SCHEMBL657183 0.79 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL10672428 0.79 MAPT (0.77) GAAMAPTTP53RECQLCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO disclosed
EP-0036718-B1 7-CHLORO-3-SUBSTITUTED ARYL-3,4-DIHYDRO-1,9(2H,10H) AND 10-HYDROXY ACRIDINEDIONEIMINES, PROCESSES FOR PRODUCING THE ACRIDINEDIONEIMINES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE ACRIDINEDIONEIMINES WARNER-LAMBERT COMPANY (US) 1985-01-02 EP disclosed
EP-0036718-A2 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10-hydroxy acridinedioneimines, processes for producing the acridinedioneimines, and pharmaceutical compositions containing the acridinedioneimines WARNER-LAMBERT COMPANY (US) 1981-09-30 EP disclosed
US-4291034-A 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10 hydroxy acridinedioneimines having antimalarial activity WARNER LAMBERT COMPANY (US) 1981-09-22 US disclosed
US-3947449-A Tetrahydroacridones having chemotherapeutic action and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1976-03-30 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 GAA 3421/4885MAPT 4656/4885TP53 3218/4885

“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.