SCHEMBL2701584

SCHEMBL2701584

COc1ccc(C2(C(N)=O)CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
POLB P06746 4/20 0.57
HRH3 Q9Y5N1 1/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX5 P09917 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1480336 0.89 LMNA (0.55) ALDH1A1HRH3CYP2C19CYP3A4KMT2A
SCHEMBL1466916 0.86 POLB (0.62) ALDH1A1POLBCYP2C19CYP3A4KMT2A
SCHEMBL31525688 0.86 ALDH1A1 (0.60) ALDH1A1POLBCYP2C19CYP3A4KMT2A
SCHEMBL10002472 0.85 LMNA (0.60) ALDH1A1CYP2C19CYP3A4KMT2AMEN1
SCHEMBL5205623 0.85 LMNA (0.65) ALDH1A1POLBCYP2C19CYP3A4KMT2A
SCHEMBL23163730 0.84 ALDH1A1 (0.62) ALDH1A1POLBCYP2C19CYP3A4KMT2A
SCHEMBL2112323 0.84 LMNA (0.68) ALDH1A1POLBCYP2C19CYP3A4KMT2A
SCHEMBL3416397 0.82 LMNA (0.55) ALDH1A1POLBHRH3CYP2C19CYP3A4
SCHEMBL29262920 0.81 CYP2C19 (0.60) ALDH1A1POLBCYP2C19CYP3A4KMT2A
SCHEMBL16424490 0.80 HDAC1 (0.53) ALDH1A1POLBHRH3CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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 (2 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885POLB 4413/4885HRH3 2837/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885POLB 4413/4885HRH3 2837/4885

“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.