SCHEMBL2469733

SCHEMBL2469733

O=C(Nc1ccccn1)C1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HTT P42858 1/20 0.55
OPRL1 P41146 2/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ELOVL1 Q9BW60 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 1/20 0.39
MEN1 O00255 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2701062 0.84 KMT2A (0.53) ALDH1A1OPRL1KMT2ARAB9AMEN1
SCHEMBL2467319 0.83 ALDH1A1 (0.44) ALDH1A1HTTOPRL1KMT2A
SCHEMBL13593924 0.83 ALDH1A1 (0.67) ALDH1A1OPRL1KMT2ANPC1RAB9A
SCHEMBL2703624 0.82 ALDH1A1 (0.51) ALDH1A1OPRL1KMT2A
SCHEMBL2467932 0.81 ALDH1A1 (0.55) ALDH1A1HTTELOVL1NPC1RAB9A
SCHEMBL13183011 0.77 ALDH1A1 (0.74) ALDH1A1HTTOPRL1KMT2ASMN1; SMN2
SCHEMBL2513448 0.77 ALDH1A1 (0.58) ALDH1A1OPRL1KMT2AMEN1
SCHEMBL2472311 0.76 ALDH1A1 (0.48) ALDH1A1OPRL1KMT2ASMN1; SMN2
SCHEMBL2703625 0.73 MAOA (0.43) ALDH1A1SLC6A3
SCHEMBL11024079 0.73 ALDH1A1 (1.00) ALDH1A1HTTKMT2ASMN1; SMN2ELOVL1

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 12 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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US 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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 ALDH1A1 3941/4885HTT 1125/4885OPRL1 1904/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885HTT 1125/4885OPRL1 1904/4885

“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.