SCHEMBL4367804

SCHEMBL4367804

COC(=O)c1ccc(CN2CCN(C)CC2)cc1.COC(=O)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.82
HDAC6 Q9UBN7 2/20 0.68
KDM4E B2RXH2 1/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
HRH3 Q9Y5N1 2/20 0.57
LMNA P02545 2/20 0.56
BTK Q06187 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL64588 1.00 CHKA (0.82) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL16121573 0.91 CHKA (1.00) CHKAHDAC6KDM4EMAPTGAA
SCHEMBL10899174 0.88 MAPT (0.74) CHKAKDM4EMAPTALDH1A1GAA
SCHEMBL19609177 0.88 CHKA (0.65) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL17078457 0.87 CHKA (0.65) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL2873979 0.87 CHKA (0.72) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL20210248 0.87 CHKA (0.77) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL24892467 0.87 CHKA (0.64) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL25509878 0.86 CHKA (0.64) CHKAHDAC6KDM4EMAPTALDH1A1
SCHEMBL10901528 0.86 CHKA (0.64) CHKAHDAC6KDM4EMAPTALDH1A1

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
CN-100457752-C Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2009-02-04 CN disclosed
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
CN-1745078-A Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORP (FI) 2006-03-08 CN 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-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CHKA 1396/4885HDAC6 2409/4885KDM4E 1769/4885

“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.