SCHEMBL2469435

SCHEMBL2469435

O=C(CCc1ccccc1)N1CCC(C(=O)NCc2cccc(-c3ccccc3)c2)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
OPRL1 P41146 2/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
OPRM1 P35372 1/20 0.47
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
SCN5A Q14524 1/20 0.45
FKBP1A P62942 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
AOC3 Q16853 2/20 0.44
USP19 O94966 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2468267 0.89 METAP2 (0.52) ALDH1A1ERCC1ERCC4OPRL1FFAR1
SCHEMBL2470356 0.87 ALDH1A1 (0.50) NAAAALDH1A1ERCC1ERCC4OPRL1
SCHEMBL2701005 0.86 TACR1 (0.56) ALDH1A1ERCC1ERCC4OPRL1FFAR1
SCHEMBL10252724 0.85 ALDH1A1 (0.55) ALDH1A1OPRL1NPC1TDP1OPRM1
SCHEMBL2522603 0.85 ALDH1A1 (0.55) ALDH1A1OPRL1NPC1TDP1OPRM1
SCHEMBL13688316 0.85 ALDH1A1 (0.55) NAAAALDH1A1ERCC1ERCC4OPRL1
SCHEMBL2467659 0.85 OPRL1 (0.57) ALDH1A1OPRL1NPC1TDP1OPRM1
SCHEMBL2467799 0.85 OPRL1 (0.57) ALDH1A1OPRL1NPC1TDP1OPRM1
SCHEMBL13183012 0.84 NAAA (0.48) NAAAALDH1A1OPRL1FFAR1FFAR4
SCHEMBL2467231 0.84 OPRL1 (0.51) ALDH1A1ERCC1ERCC4OPRL1FFAR1

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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 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-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

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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 NAAA 3237/4885ALDH1A1 3941/4885ERCC1 2042/4885

“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.