SCHEMBL2701756

SCHEMBL2701756

NC(=O)C1(c2ccc(F)cc2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 4/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL379020 0.87 HSD11B1 (0.49) LMNAHDAC1HSD11B1ALDH1A1OPRM1
Hydrochloric Acid SCHEMBL5794598 0.85 HSD11B1 (0.48) LMNAHDAC1HSD11B1ALDH1A1OPRM1
SCHEMBL16424490 0.84 HDAC1 (0.53) ALOX5HRH3LMNAHDAC1HDAC3
SCHEMBL166581 0.84 APP (0.50) LMNAHDAC1HDAC3HDAC2HDAC6
SCHEMBL42559 0.84 LMNA (0.53) LMNAHDAC1HSD11B1ALDH1A1OPRM1
SCHEMBL10002400 0.84 LMNA (0.49) LMNAHDAC1HSD11B1ALDH1A1OPRM1
SCHEMBL3416397 0.83 LMNA (0.55) ALOX5HRH3LMNAHDAC1HSD11B1
SCHEMBL2701341 0.83 ALDH1A1 (0.54) ALOX5HRH3LMNAHSD11B1ALDH1A1
SCHEMBL15349227 0.83 HDAC1 (0.53) ALOX5HRH3LMNAHDAC1HDAC3
SCHEMBL332275 0.83 ALOX5 (0.47) ALOX5HRH3LMNAHDAC1HDAC3

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
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 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
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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 (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 ALOX5 1674/4885HRH3 2837/4885LMNA 1070/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALOX5 1674/4885HRH3 2837/4885LMNA 1070/4885

“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.